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CP-289,503 50mg

CAT: 0628-A24462-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0628-A24462-50Size:50 mg
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CAS Number
1349637-14-4

Chemical Information

N-(4-chlorophenethyl)-N-(1-(3-(4-methoxyphenyl)propyl)piperidin-4-yl)benzamide
CAS Number1349637-14-4
PubChem CID44589629
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-N-[1-[3-(4-methoxyphenyl)propyl]piperidin-4-yl]benzamide
Molecular FormulaC30H35ClN2O2
Molecular Weight491.1
XLogP6.8
Topological Polar Surface Area32.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count10
Heavy Atom Count35
Formal Charge0
Complexity601
SMILES
COC1=CC=C(C=C1)CCCN2CCC(CC2)N(CCC3=CC=C(C=C3)Cl)C(=O)C4=CC=CC=C4
InChI
InChI=1S/C30H35ClN2O2/c1-35-29-15-11-24(12-16-29)6-5-20-32-21-18-28(19-22-32)33(30(34)26-7-3-2-4-8-26)23-17-25-9-13-27(31)14-10-25/h2-4,7-16,28H,5-6,17-23H2,1H3
InChIKey
FEIPOPDWQMTEKS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(4-chlorophenethyl)-N-(1-(3-(4-methoxyphenyl)propyl)piperidin-4-yl)benzamide
CAS: 1349637-14-4
CID: 44589629
Formula: C30H35ClN2O2
MW: 491.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight491.1
XLogP36.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count10
Exact Mass490.2387061
Monoisotopic Mass490.2387061
Topological Polar Surface Area32.8 Ų
Heavy Atom Count35
Formal Charge0
Complexity601
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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