N-(4-chlorophenyl)-6-(3-methylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide

C27H27ClN2O2 — CID 42869311

IUPACN-(4-chlorophenyl)-6-(3-methylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide
SMILESCc1cccc(C2CCC(C(=O)Nc3ccc(Cl)cc3)CN2C(=O)Cc2ccccc2)c1
InChIInChI=1S/C27H27ClN2O2/c1-19-6-5-9-21(16-19)25-15-10-22(27(32)29-24-13-11-23(28)12-14-24)18-30(25)26(31)17-20-7-3-2-4-8-20/h2-9,11-14,16,22,25H,10,15,17-18H2,1H3,(H,29,32)
InChIKeyCJPHNGRMDNQHLE-UHFFFAOYSA-N
MW446.98 g/mol
LogP5.81
Rot. Bonds5

About N-(4-chlorophenyl)-6-(3-methylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide

N-(4-chlorophenyl)-6-(3-methylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide (PubChem CID 42869311) has the molecular formula C27H27ClN2O2 and a molecular weight of 446.98 g/mol. Its IUPAC name is N-(4-chlorophenyl)-6-(3-methylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-6-(3-methylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide
PubChem CID42869311
Molecular FormulaC27H27ClN2O2
Molecular Weight446.98 g/mol
Exact Mass446.18
IUPAC NameN-(4-chlorophenyl)-6-(3-methylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide
SMILESCc1cccc(C2CCC(C(=O)Nc3ccc(Cl)cc3)CN2C(=O)Cc2ccccc2)c1
InChIInChI=1S/C27H27ClN2O2/c1-19-6-5-9-21(16-19)25-15-10-22(27(32)29-24-13-11-23(28)12-14-24)18-30(25)26(31)17-20-7-3-2-4-8-20/h2-9,11-14,16,22,25H,10,15,17-18H2,1H3,(H,29,32)
InChIKeyCJPHNGRMDNQHLE-UHFFFAOYSA-N
XLogP5.81
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 ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-methoxyphenyl)-6-(3-methylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 46071992
(3R,6S)-6-(3-methylphenyl)-1-(2-phenylacetyl)-N-prop-2-enylpiperidine-3-carboxamide
CID 93001712
6-(3-methylphenyl)-1-(2-phenylacetyl)-N-prop-2-enylpiperidine-3-carboxamide
CID 46071991
1-N-benzyl-3-N-[4-(dimethylamino)phenyl]-6-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 42868554
N-(3-chlorophenyl)-1-(2-methoxyacetyl)-6-phenylpiperidine-3-carboxamide
CID 42868356
1-N-ethyl-3-N-(4-methoxyphenyl)-6-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 42849629
1-[(3-chlorophenyl)methyl]-N,6-diphenylpiperidine-3-carboxamide
CID 42869809
(3S,6R)-3-N-benzyl-1-N-butyl-6-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 93328595
(3R,6R)-1-(cyclopentanecarbonyl)-N-ethyl-6-(3-methylphenyl)piperidine-3-carboxamide
CID 93328136
(3S,6R)-1-(cyclopentanecarbonyl)-N-ethyl-6-(3-methylphenyl)piperidine-3-carboxamide
CID 93328137
1-[(4-methoxyphenyl)carbamoyl]-6-(3-methylphenyl)piperidine-3-carboxylic acid
CID 42849397
[(2S,5R)-5-(4-benzylpiperidine-1-carbonyl)-2-(3-methylphenyl)piperidin-1-yl]-cyclopentylmethanone
CID 92998907

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-6-(3-methylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-6-(3-methylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide (CID 42869311) is N-(4-chlorophenyl)-6-(3-methylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-6-(3-methylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-6-(3-methylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide is Cc1cccc(C2CCC(C(=O)Nc3ccc(Cl)cc3)CN2C(=O)Cc2ccccc2)c1.
What is the InChIKey of N-(4-chlorophenyl)-6-(3-methylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide?
The InChIKey is CJPHNGRMDNQHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27ClN2O2/c1-19-6-5-9-21(16-19)25-15-10-22(27(32)29-24-13-11-23(28)12-14-24)18-30(25)26(31)17-20-7-3-2-4-8-20/h2-9,11-14,16,22,25H,10,15,17-18H2,1H3,(H,29,32).
What are the key properties of N-(4-chlorophenyl)-6-(3-methylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide?
N-(4-chlorophenyl)-6-(3-methylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide has a molecular weight of 446.98 g/mol, XLogP of 5.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-6-(3-methylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide is sourced from PubChem (CID 42869311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).