N-[(R)-(4-chlorophenyl)-phenylmethyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide

C27H27ClN2O2 — CID 41188239

IUPACN-[(R)-(4-chlorophenyl)-phenylmethyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide
SMILESCc1ccccc1C(=O)N1CCC(C(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C27H27ClN2O2/c1-19-7-5-6-10-24(19)27(32)30-17-15-22(16-18-30)26(31)29-25(20-8-3-2-4-9-20)21-11-13-23(28)14-12-21/h2-14,22,25H,15-18H2,1H3,(H,29,31)/t25-/m1/s1
InChIKeyWHNLMZJMFGCYTK-RUZDIDTESA-N
MW446.98 g/mol
LogP5.41
Rot. Bonds5

About N-[(R)-(4-chlorophenyl)-phenylmethyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide

N-[(R)-(4-chlorophenyl)-phenylmethyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide (PubChem CID 41188239) has the molecular formula C27H27ClN2O2 and a molecular weight of 446.98 g/mol. Its IUPAC name is N-[(R)-(4-chlorophenyl)-phenylmethyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(R)-(4-chlorophenyl)-phenylmethyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide
PubChem CID41188239
Molecular FormulaC27H27ClN2O2
Molecular Weight446.98 g/mol
Exact Mass446.18
IUPAC NameN-[(R)-(4-chlorophenyl)-phenylmethyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide
SMILESCc1ccccc1C(=O)N1CCC(C(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C27H27ClN2O2/c1-19-7-5-6-10-24(19)27(32)30-17-15-22(16-18-30)26(31)29-25(20-8-3-2-4-9-20)21-11-13-23(28)14-12-21/h2-14,22,25H,15-18H2,1H3,(H,29,31)/t25-/m1/s1
InChIKeyWHNLMZJMFGCYTK-RUZDIDTESA-N
XLogP5.41
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.98
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-chlorophenyl)-phenylmethyl]-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide
CID 55376976
N-[(4-chlorophenyl)methyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide
CID 2920836
1-(4-chlorobenzoyl)-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 1326341
N-benzhydryl-1-[(4-chlorophenyl)methyl]piperidine-4-carboxamide
CID 45016872
1-(2-methoxybenzoyl)-N-[(3-methyl-2-pyridinyl)-phenylmethyl]piperidine-4-carboxamide
CID 126473277
N-(3-chlorophenyl)-1-(2-methylbenzoyl)piperidine-4-carboxamide
CID 4612076
N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 55751666
1-acetyl-N-[(4-chlorophenyl)-phenylmethyl]pyrrolidine-2-carboxamide
CID 78798467
N-benzhydryl-1-(4-chlorobenzoyl)piperidine-3-carboxamide
CID 3410633
1-(5-chloro-2-methoxybenzoyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)-phenylmethyl]piperidine-4-carboxamide
CID 56518904
N-[(4-chlorophenyl)-(2-methylphenyl)methyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide;ethane
CID 145107785
1-(4-chlorobenzoyl)-N-[2-(1-phenylethylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 43000360

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(4-chlorophenyl)-phenylmethyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide?
The IUPAC name of N-[(R)-(4-chlorophenyl)-phenylmethyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide (CID 41188239) is N-[(R)-(4-chlorophenyl)-phenylmethyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(R)-(4-chlorophenyl)-phenylmethyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(R)-(4-chlorophenyl)-phenylmethyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide is Cc1ccccc1C(=O)N1CCC(C(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[(R)-(4-chlorophenyl)-phenylmethyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide?
The InChIKey is WHNLMZJMFGCYTK-RUZDIDTESA-N. The full InChI is InChI=1S/C27H27ClN2O2/c1-19-7-5-6-10-24(19)27(32)30-17-15-22(16-18-30)26(31)29-25(20-8-3-2-4-9-20)21-11-13-23(28)14-12-21/h2-14,22,25H,15-18H2,1H3,(H,29,31)/t25-/m1/s1.
What are the key properties of N-[(R)-(4-chlorophenyl)-phenylmethyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide?
N-[(R)-(4-chlorophenyl)-phenylmethyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide has a molecular weight of 446.98 g/mol, XLogP of 5.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(4-chlorophenyl)-phenylmethyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 41188239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).