3540735
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7
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11
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28
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5
255
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6.0531
2.866
8.0102
6.4103
7.3423
8.9887
7.6995
7.653
9.2993
8.6315
6.721
6.4103
8.3673
5.4641
6.9939
5.4641
4.5981
7.9939
4.5981
6.721
3.732
3.732
2
6.7954
6.9598
9.0092
9.6025
8.3062
7.6324
7.0392
9.8462
9.6819
9.1578
8.4002
7.9059
8.7814
8.8288
4.5981
7.9939
8.6139
7.9939
4.5981
6.1317
6.9136
7.3103
3.1951
1.69
1.4631
2.31
0.9707
-0.5289
1.3831
-2.3336
2.1274
1.5893
0.4326
3.0779
2.5398
3.2841
0.2264
-0.7242
-0.3117
-1.0289
-1.5289
-2.0289
-0.5289
-1.5289
-2.5289
-3.2841
-1.0289
-2.0289
-1.0289
2.4194
1.6395
0.9697
1.502
0.5604
3.6976
3.1653
2.2478
3.0278
3.6118
3.8594
-0.7258
-0.7732
0.1023
0.0911
-2.1489
-1.5289
-0.9089
-3.1489
-3.4768
-3.8735
-3.0915
-2.3389
-0.492
-1.3389
-1.5658
8
8
3
8
8
8
8
8
8
8
8
4
4
7
12
12
14
14
16
17
19
21
15
16
13
14
15
16
17
19
21
22
22
0
Compound
Canonicalized
5
2011.04.04
1
Compound Complexity
7
E_COMPLEXITY
3.384
Cactvs
xemistry.com
2011.09.13
422
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.384
Cactvs
xemistry.com
2011.09.13
3
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.384
Cactvs
xemistry.com
2011.09.13
0
Count
Rotatable Bond
5
E_NROTBONDS
3.384
Cactvs
xemistry.com
2011.09.13
4
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.384
Cactvs
xemistry.com
2011.09.13
00000371E07B30000000000000000000000000000001600000003C400000000000005801F000001E00000000000C2CC19E0632C6F30C1400A803A472440082882025222008D821BE6CD80C26FAC4B5BB8431A864C011C8E947BCDCF3CE80400100000200000080020000040000000000000000
IUPAC Name
Allowed
1
2.0.2
LexiChem
openeye.com
2011.09.13
1-(5-methoxy-1,2-dimethyl-indol-3-yl)-2-(1-piperidyl)propan-1-one
IUPAC Name
CAS-like Style
1
2.0.2
LexiChem
openeye.com
2011.09.13
1-(5-methoxy-1,2-dimethyl-3-indolyl)-2-(1-piperidinyl)-1-propanone
IUPAC Name
Preferred
1
2.0.2
LexiChem
openeye.com
2011.09.13
1-(5-methoxy-1,2-dimethylindol-3-yl)-2-piperidin-1-ylpropan-1-one
IUPAC Name
Systematic
1
2.0.2
LexiChem
openeye.com
2011.09.13
1-(5-methoxy-1,2-dimethyl-indol-3-yl)-2-piperidin-1-yl-propan-1-one
IUPAC Name
Traditional
1
2.0.2
LexiChem
openeye.com
2011.09.13
1-(5-methoxy-1,2-dimethyl-indol-3-yl)-2-piperidino-propan-1-one
InChI
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
InChI=1S/C19H26N2O2/c1-13-18(19(22)14(2)21-10-6-5-7-11-21)16-12-15(23-4)8-9-17(16)20(13)3/h8-9,12,14H,5-7,10-11H2,1-4H3
InChIKey
Standard
1
1.0.3
InChI
nist.gov
2011.09.13
UDSLDAWTPGHEOA-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2011.09.13
3.4
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
314.199428
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
C19H26N2O2
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
314.42194
SMILES
Canonical
1
1.7.4
OEChem
openeye.com
2011.09.13
CC1=C(C2=C(N1C)C=CC(=C2)OC)C(=O)C(C)N3CCCCC3
SMILES
Isomeric
1
1.7.4
OEChem
openeye.com
2011.09.13
CC1=C(C2=C(N1C)C=CC(=C2)OC)C(=O)C(C)N3CCCCC3
Topological
Polar Surface Area
7
E_TPSA
3.384
Cactvs
xemistry.com
2011.09.13
34.5
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2011.09.13
314.199428
23
1
0
1
0
0
0
0
1
2