N-[(3-chlorophenyl)methyl]-3-[(3R)-1-(4-methoxybenzoyl)piperidin-3-yl]benzamide

C27H27ClN2O3 — CID 92872314

IUPACN-[(3-chlorophenyl)methyl]-3-[(3R)-1-(4-methoxybenzoyl)piperidin-3-yl]benzamide
SMILESCOc1ccc(C(=O)N2CCC[C@H](c3cccc(C(=O)NCc4cccc(Cl)c4)c3)C2)cc1
InChIInChI=1S/C27H27ClN2O3/c1-33-25-12-10-20(11-13-25)27(32)30-14-4-8-23(18-30)21-6-3-7-22(16-21)26(31)29-17-19-5-2-9-24(28)15-19/h2-3,5-7,9-13,15-16,23H,4,8,14,17-18H2,1H3,(H,29,31)/t23-/m0/s1
InChIKeyGVNIKLAKGWFNJR-QHCPKHFHSA-N
MW462.98 g/mol
LogP5.30
Rot. Bonds6

About N-[(3-chlorophenyl)methyl]-3-[(3R)-1-(4-methoxybenzoyl)piperidin-3-yl]benzamide

N-[(3-chlorophenyl)methyl]-3-[(3R)-1-(4-methoxybenzoyl)piperidin-3-yl]benzamide (PubChem CID 92872314) has the molecular formula C27H27ClN2O3 and a molecular weight of 462.98 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-3-[(3R)-1-(4-methoxybenzoyl)piperidin-3-yl]benzamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-3-[(3R)-1-(4-methoxybenzoyl)piperidin-3-yl]benzamide
PubChem CID92872314
Molecular FormulaC27H27ClN2O3
Molecular Weight462.98 g/mol
Exact Mass462.17
IUPAC NameN-[(3-chlorophenyl)methyl]-3-[(3R)-1-(4-methoxybenzoyl)piperidin-3-yl]benzamide
SMILESCOc1ccc(C(=O)N2CCC[C@H](c3cccc(C(=O)NCc4cccc(Cl)c4)c3)C2)cc1
InChIInChI=1S/C27H27ClN2O3/c1-33-25-12-10-20(11-13-25)27(32)30-14-4-8-23(18-30)21-6-3-7-22(16-21)26(31)29-17-19-5-2-9-24(28)15-19/h2-3,5-7,9-13,15-16,23H,4,8,14,17-18H2,1H3,(H,29,31)/t23-/m0/s1
InChIKeyGVNIKLAKGWFNJR-QHCPKHFHSA-N
XLogP5.30
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.98
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chlorophenyl)methyl]-3-[1-(4-methoxybenzoyl)piperidin-3-yl]benzamide
CID 46333937
3-[(3S)-1-(4-methoxybenzoyl)piperidin-3-yl]-N-[(2-methoxyphenyl)methyl]benzamide
CID 92872341
N-butyl-3-[1-(4-methoxybenzoyl)piperidin-3-yl]benzamide
CID 46333958
(3S)-3-[3-[(4-methoxyphenyl)methylcarbamoyl]phenyl]-N-methylpiperidine-1-carboxamide
CID 92890941
(3R)-N-(4-chlorophenyl)-3-[3-[(3-methoxyphenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide
CID 92872664
N-benzyl-3-[1-(4-methylbenzoyl)piperidin-3-yl]benzamide
CID 46333935
N-cyclopentyl-3-[1-(4-methoxybenzoyl)piperidin-3-yl]benzamide
CID 46333939
3-[3-[(3-chlorophenyl)methylcarbamoyl]phenyl]-N-(4-ethylphenyl)piperidine-1-carboxamide
CID 46334145
(3S)-3-[3-[(3-methoxyphenyl)methylcarbamoyl]phenyl]-N-phenylpiperidine-1-carboxamide
CID 92872821
3-[(3S)-1-benzoylpiperidin-3-yl]-N-[(2-methoxyphenyl)methyl]benzamide
CID 92872473
N-[(4-ethylphenyl)methyl]-3-[(3R)-1-(4-methylbenzoyl)piperidin-3-yl]benzamide
CID 92872462
[3-[(3-chlorophenyl)methoxy]piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 46028783

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-3-[(3R)-1-(4-methoxybenzoyl)piperidin-3-yl]benzamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-3-[(3R)-1-(4-methoxybenzoyl)piperidin-3-yl]benzamide (CID 92872314) is N-[(3-chlorophenyl)methyl]-3-[(3R)-1-(4-methoxybenzoyl)piperidin-3-yl]benzamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-3-[(3R)-1-(4-methoxybenzoyl)piperidin-3-yl]benzamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-3-[(3R)-1-(4-methoxybenzoyl)piperidin-3-yl]benzamide is COc1ccc(C(=O)N2CCC[C@H](c3cccc(C(=O)NCc4cccc(Cl)c4)c3)C2)cc1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-3-[(3R)-1-(4-methoxybenzoyl)piperidin-3-yl]benzamide?
The InChIKey is GVNIKLAKGWFNJR-QHCPKHFHSA-N. The full InChI is InChI=1S/C27H27ClN2O3/c1-33-25-12-10-20(11-13-25)27(32)30-14-4-8-23(18-30)21-6-3-7-22(16-21)26(31)29-17-19-5-2-9-24(28)15-19/h2-3,5-7,9-13,15-16,23H,4,8,14,17-18H2,1H3,(H,29,31)/t23-/m0/s1.
What are the key properties of N-[(3-chlorophenyl)methyl]-3-[(3R)-1-(4-methoxybenzoyl)piperidin-3-yl]benzamide?
N-[(3-chlorophenyl)methyl]-3-[(3R)-1-(4-methoxybenzoyl)piperidin-3-yl]benzamide has a molecular weight of 462.98 g/mol, XLogP of 5.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-3-[(3R)-1-(4-methoxybenzoyl)piperidin-3-yl]benzamide is sourced from PubChem (CID 92872314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).