AM-1248
PubChem CID
10293794
Structure
Molecular Formula
Synonyms
- 335160-66-2
- Adamantan-1-yl(1-((1-methylpiperidin-2-yl)methyl)-1H-indol-3-yl)methanone
- AM-1248
- AM1248
- AM 1248
Molecular Weight
390.6 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
- Create:2006-10-25
- Modify:2025-01-18
Chemical Structure Depiction
1-adamantyl-[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]methanone
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C26H34N2O/c1-27-9-5-4-6-21(27)16-28-17-23(22-7-2-3-8-24(22)28)25(29)26-13-18-10-19(14-26)12-20(11-18)15-26/h2-3,7-8,17-21H,4-6,9-16H2,1H3
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
JRECAXBHMULNJQ-UHFFFAOYSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
CN1CCCCC1CN2C=C(C3=CC=CC=C32)C(=O)C45CC6CC(C4)CC(C6)C5
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C26H34N2O
Computed by PubChem 2.2 (PubChem release 2021.10.14)
- 335160-66-2
- Adamantan-1-yl(1-((1-methylpiperidin-2-yl)methyl)-1H-indol-3-yl)methanone
- AM-1248
- AM1248
- AM 1248
- UNII-5EX9HEF4HK
- 5EX9HEF4HK
- 1-((N-Methylpiperidin-2-yl)methyl)-3-(adamant-1-oyl)indole
- CHEMBL4467282
- (1-((1-METHYLPIPERIDIN-2-YL)METHYL)-1H-INDOL-3-YL)(ADAMANTAN-1-YL)METHANONE
- 1-((N-METHYL-2-PIPERIDINYL)METHYL)-3-(1-ADAMANTANECARBONYL)-1H-INDOLE
- (1-((1-METHYL-2-PIPERIDINYL)METHYL)-1H-INDOL-3-YL)TRICYCLO(3.3.1.13,7)DEC-1-YLMETHANONE
- METHANONE, (1-((1-METHYL-2-PIPERIDINYL)METHYL)-1H-INDOL-3-YL)TRICYCLO(3.3.1.13,7)DEC-1-YL-
- 1-[(N-Methylpiperidin-2-yl)Methyl]-3-(adaMant-1-oyl)indole
- 1-[(N-Methyl-2-piperidinyl)methyl]-3-(1-adamantanecarbonyl)-1H-indole
- 1-adamantyl-[1-[(1-methylpiperidin-2-yl)methyl]indol-3-yl]methanone
- SCHEMBL2914461
- DTXSID101017326
- BCP17702
- BDBM50518025
- AKOS015999098
- NS00017675
- Q4652485
- 1-(N-Methyl-2-piperidinyl)methyl-3-(1-adamantanecarbonyl)-1H-indole
- AM -1248, 1-[(N-Methylpiperidin-2-yl)Methyl]-3-(adaMant-1-oyl)indole
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
390.6 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
XLogP3-AA
Property Value
5.1
Reference
Computed by XLogP3 3.0 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
0
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
2
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
4
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
390.267113712 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
390.267113712 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
25.2 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
29
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
603
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
1
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
NIST Number
386121
Library
Main library
Total Peaks
163
m/z Top Peak
98
m/z 2nd Highest
70
m/z 3rd Highest
99
Thumbnail
Instrument Name
Bio-Rad FTS
Technique
KBr0
Source of Spectrum
Forensic Spectral Research
Source of Sample
Cayman Chemical Company
Catalog Number
<a href=https://www.caymanchem.com/product/11282>11282</a>
Lot Number
0442182-10
Copyright
Copyright © 2012-2024 John Wiley & Sons, Inc. All Rights Reserved.
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Same Connectivity Count
Same Parent, Connectivity Count
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=JRECAXBHMULNJQ-UHFFFAOYSA-N
- CAS Common ChemistryLICENSEThe data from CAS Common Chemistry is provided under a CC-BY-NC 4.0 license, unless otherwise stated.https://creativecommons.org/licenses/by-nc/4.0/1-[(N-Methyl-2-piperidinyl)methyl]-3-(1-adamantanecarbonyl)-1H-indolehttps://commonchemistry.cas.org/detail?cas_rn=335160-66-2
- ChemIDplusChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- EPA DSSTox1-((N-Methylpiperidin-2-yl)methyl)-3-(adamant-1-oyl)indolehttps://comptox.epa.gov/dashboard/DTXSID101017326CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- FDA Global Substance Registration System (GSRS)LICENSEUnless otherwise noted, the contents of the FDA website (www.fda.gov), both text and graphics, are not copyrighted. They are in the public domain and may be republished, reprinted and otherwise used freely by anyone without the need to obtain permission from FDA. Credit to the U.S. Food and Drug Administration as the source is appreciated but not required.https://www.fda.gov/about-fda/about-website/website-policies#linking
- ChEMBLLICENSEAccess to the web interface of ChEMBL is made under the EBI's Terms of Use (http://www.ebi.ac.uk/Information/termsofuse.html). The ChEMBL data is made available on a Creative Commons Attribution-Share Alike 3.0 Unported License (http://creativecommons.org/licenses/by-sa/3.0/).http://www.ebi.ac.uk/Information/termsofuse.htmlChEMBL Protein Target Treehttps://www.ebi.ac.uk/chembl/g/#browse/targets
- Japan Chemical Substance Dictionary (Nikkaji)
- NIST Mass Spectrometry Data CenterLICENSEData covered by the Standard Reference Data Act of 1968 as amended.https://www.nist.gov/srd/public-law
- SpectraBase
- Springer Nature
- Wikidata
- Wikipedia1,2-Dioxanehttps://en.wikipedia.org/wiki/1,2-Dioxane
- PubChem
- NORMAN Suspect List ExchangeLICENSEData: CC-BY 4.0; Code (hosted by ECI, LCSB): Artistic-2.0https://creativecommons.org/licenses/by/4.0/NORMAN Suspect List Exchange Classificationhttps://www.norman-network.com/nds/SLE/
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
- PATENTSCOPE (WIPO)SID 403112192https://pubchem.ncbi.nlm.nih.gov/substance/403112192
- NCBI
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