(3R)-N-(2-benzylphenyl)-1-(4-chlorobenzoyl)piperidine-3-carboxamide

C26H25ClN2O2 — CID 2161170

IUPAC(3R)-N-(2-benzylphenyl)-1-(4-chlorobenzoyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccccc1Cc1ccccc1)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C26H25ClN2O2/c27-23-14-12-20(13-15-23)26(31)29-16-6-10-22(18-29)25(30)28-24-11-5-4-9-21(24)17-19-7-2-1-3-8-19/h1-5,7-9,11-15,22H,6,10,16-18H2,(H,28,30)/t22-/m1/s1
InChIKeyNUVAKAHUAKSROJ-JOCHJYFZSA-N
MW432.95 g/mol
LogP5.42
Rot. Bonds5

About (3R)-N-(2-benzylphenyl)-1-(4-chlorobenzoyl)piperidine-3-carboxamide

(3R)-N-(2-benzylphenyl)-1-(4-chlorobenzoyl)piperidine-3-carboxamide (PubChem CID 2161170) has the molecular formula C26H25ClN2O2 and a molecular weight of 432.95 g/mol. Its IUPAC name is (3R)-N-(2-benzylphenyl)-1-(4-chlorobenzoyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(2-benzylphenyl)-1-(4-chlorobenzoyl)piperidine-3-carboxamide
PubChem CID2161170
Molecular FormulaC26H25ClN2O2
Molecular Weight432.95 g/mol
Exact Mass432.16
IUPAC Name(3R)-N-(2-benzylphenyl)-1-(4-chlorobenzoyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccccc1Cc1ccccc1)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C26H25ClN2O2/c27-23-14-12-20(13-15-23)26(31)29-16-6-10-22(18-29)25(30)28-24-11-5-4-9-21(24)17-19-7-2-1-3-8-19/h1-5,7-9,11-15,22H,6,10,16-18H2,(H,28,30)/t22-/m1/s1
InChIKeyNUVAKAHUAKSROJ-JOCHJYFZSA-N
XLogP5.42
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.95
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-benzylphenyl)-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 46569506
1-(4-chlorobenzoyl)-N-[2-(ethylaminomethyl)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119439295
1-(4-chlorobenzoyl)-N-[2-[(4-chlorobenzoyl)amino]phenyl]piperidine-3-carboxamide
CID 46439094
2-[2-[[1-(4-methylbenzoyl)piperidine-3-carbonyl]amino]phenyl]acetic acid
CID 119218307
(3S)-1-(4-chlorobenzoyl)-N-(4-phenylphenyl)piperidine-3-carboxamide
CID 2542955
N-(2-chlorophenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 51272015
1-(4-chlorobenzoyl)-N-(4-chloro-2-fluorophenyl)piperidine-3-carboxamide
CID 134062571
1-(4-chlorobenzoyl)-N-[3-(hydroxymethyl)phenyl]piperidine-3-carboxamide
CID 112766687
(3R)-1-(4-chlorobenzoyl)-N-[2-(prop-2-enylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 39996060
(3R)-1-(4-chlorobenzoyl)-N-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 8713114
1-(4-chlorobenzoyl)-N-[4-(piperidin-1-ylmethyl)phenyl]piperidine-3-carboxamide
CID 50804302
N-benzhydryl-1-(4-chlorobenzoyl)piperidine-3-carboxamide
CID 3410633

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2-benzylphenyl)-1-(4-chlorobenzoyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-(2-benzylphenyl)-1-(4-chlorobenzoyl)piperidine-3-carboxamide (CID 2161170) is (3R)-N-(2-benzylphenyl)-1-(4-chlorobenzoyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(2-benzylphenyl)-1-(4-chlorobenzoyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(2-benzylphenyl)-1-(4-chlorobenzoyl)piperidine-3-carboxamide is O=C(Nc1ccccc1Cc1ccccc1)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1.
What is the InChIKey of (3R)-N-(2-benzylphenyl)-1-(4-chlorobenzoyl)piperidine-3-carboxamide?
The InChIKey is NUVAKAHUAKSROJ-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H25ClN2O2/c27-23-14-12-20(13-15-23)26(31)29-16-6-10-22(18-29)25(30)28-24-11-5-4-9-21(24)17-19-7-2-1-3-8-19/h1-5,7-9,11-15,22H,6,10,16-18H2,(H,28,30)/t22-/m1/s1.
What are the key properties of (3R)-N-(2-benzylphenyl)-1-(4-chlorobenzoyl)piperidine-3-carboxamide?
(3R)-N-(2-benzylphenyl)-1-(4-chlorobenzoyl)piperidine-3-carboxamide has a molecular weight of 432.95 g/mol, XLogP of 5.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2-benzylphenyl)-1-(4-chlorobenzoyl)piperidine-3-carboxamide is sourced from PubChem (CID 2161170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).