CID 25365120
PubChem CID
25365120
Structure
Molecular Formula
Status
Non-live
Molecular Weight
388.9 g/mol
Dates
- Create:2009-05-27
Chemical Structure Depiction
N-[(3-chlorophenyl)methyl]-3-[1-[(2R)-spiro[2.3]hexane-2-carbonyl]piperidin-4-yl]propanamide
InChI=1S/C22H29ClN2O2/c23-18-4-1-3-17(13-18)15-24-20(26)6-5-16-7-11-25(12-8-16)21(27)19-14-22(19)9-2-10-22/h1,3-4,13,16,19H,2,5-12,14-15H2,(H,24,26)/t19-/m0/s1
GNYPNGMWBZCHEH-IBGZPJMESA-N
C1CC2(C1)C[C@H]2C(=O)N3CCC(CC3)CCC(=O)NCC4=CC(=CC=C4)Cl
C22H29ClN2O2
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
388.9 g/mol
Property Name
XLogP3-AA
Property Value
3.8
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
388.1917559 g/mol
Property Name
Monoisotopic Mass
Property Value
388.1917559 g/mol
Property Name
Topological Polar Surface Area
Property Value
49.4 A^2
Property Name
Heavy Atom Count
Property Value
27
Property Name
Formal Charge
Property Value
0
Property Name
Complexity
Property Value
555
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