CID 42402985
PubChem CID
42402985
Structure
Molecular Formula
Status
Non-live
Molecular Weight
417.0 g/mol
Dates
- Create:2009-05-30
Chemical Structure Depiction
N-[(3-chlorophenyl)methyl]-3-[1-[(2S)-spiro[2.5]octane-2-carbonyl]piperidin-4-yl]propanamide
InChI=1S/C24H33ClN2O2/c25-20-6-4-5-19(15-20)17-26-22(28)8-7-18-9-13-27(14-10-18)23(29)21-16-24(21)11-2-1-3-12-24/h4-6,15,18,21H,1-3,7-14,16-17H2,(H,26,28)/t21-/m1/s1
JSXXSIYGRSHJFX-OAQYLSRUSA-N
C1CCC2(CC1)C[C@@H]2C(=O)N3CCC(CC3)CCC(=O)NCC4=CC(=CC=C4)Cl
C24H33ClN2O2
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
417.0 g/mol
Property Name
XLogP3-AA
Property Value
4.9
Property Name
Hydrogen Bond Donor Count
Property Value
1
Property Name
Hydrogen Bond Acceptor Count
Property Value
2
Property Name
Rotatable Bond Count
Property Value
6
Property Name
Exact Mass
Property Value
416.2230560 g/mol
Property Name
Monoisotopic Mass
Property Value
416.2230560 g/mol
Property Name
Topological Polar Surface Area
Property Value
49.4 A^2
Property Name
Heavy Atom Count
Property Value
29
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
581
Property Name
Isotope Atom Count
Property Value
0
Property Name
Defined Atom Stereocenter Count
Property Value
1
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Property Name
Defined Bond Stereocenter Count
Property Value
0
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Property Name
Covalently-Bonded Unit Count
Property Value
1
Property Name
Compound Is Canonicalized
Property Value
Yes
Old substance
Old substance
CONTENTS