1-[(4-chlorophenyl)methyl]-N-[(1R)-3-methyl-1-phenylbutyl]piperidine-4-carboxamide

C24H31ClN2O — CID 94025097

IUPAC1-[(4-chlorophenyl)methyl]-N-[(1R)-3-methyl-1-phenylbutyl]piperidine-4-carboxamide
SMILESCC(C)C[C@@H](NC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1)c1ccccc1
InChIInChI=1S/C24H31ClN2O/c1-18(2)16-23(20-6-4-3-5-7-20)26-24(28)21-12-14-27(15-13-21)17-19-8-10-22(25)11-9-19/h3-11,18,21,23H,12-17H2,1-2H3,(H,26,28)/t23-/m1/s1
InChIKeyDDZAJSPGUMXDQJ-HSZRJFAPSA-N
MW398.98 g/mol
LogP5.46
Rot. Bonds7

About 1-[(4-chlorophenyl)methyl]-N-[(1R)-3-methyl-1-phenylbutyl]piperidine-4-carboxamide

1-[(4-chlorophenyl)methyl]-N-[(1R)-3-methyl-1-phenylbutyl]piperidine-4-carboxamide (PubChem CID 94025097) has the molecular formula C24H31ClN2O and a molecular weight of 398.98 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-N-[(1R)-3-methyl-1-phenylbutyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-N-[(1R)-3-methyl-1-phenylbutyl]piperidine-4-carboxamide
PubChem CID94025097
Molecular FormulaC24H31ClN2O
Molecular Weight398.98 g/mol
Exact Mass398.21
IUPAC Name1-[(4-chlorophenyl)methyl]-N-[(1R)-3-methyl-1-phenylbutyl]piperidine-4-carboxamide
SMILESCC(C)C[C@@H](NC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1)c1ccccc1
InChIInChI=1S/C24H31ClN2O/c1-18(2)16-23(20-6-4-3-5-7-20)26-24(28)21-12-14-27(15-13-21)17-19-8-10-22(25)11-9-19/h3-11,18,21,23H,12-17H2,1-2H3,(H,26,28)/t23-/m1/s1
InChIKeyDDZAJSPGUMXDQJ-HSZRJFAPSA-N
XLogP5.46
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.98
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-bromophenyl)methyl]-N-(3-methyl-1-phenylbutyl)piperidine-4-carboxamide
CID 46776584
1-[(2,4-dichlorophenyl)methyl]-N-[(1S)-3-methyl-1-phenylbutyl]piperidine-4-carboxamide
CID 94025099
1-[(4-chlorophenyl)methyl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 2187102
1-[(2-chloro-6-fluorophenyl)methyl]-N-[(1S)-3-methyl-1-phenylbutyl]piperidine-4-carboxamide
CID 94025120
N-benzhydryl-1-[(4-chlorophenyl)methyl]piperidine-4-carboxamide
CID 45016872
1-[(3-chlorophenyl)methylsulfonyl]-N-(3-methyl-1-phenylbutyl)piperidine-4-carboxamide
CID 43885252
1-[(3-chlorophenyl)methyl]-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide
CID 1343521
3-[(1-benzylpiperidine-4-carbonyl)amino]-2-methyl-3-phenylpropanoic acid
CID 119219104
1-[(2-chlorophenyl)methyl]-N-(3-methyl-1-phenylbutyl)piperidine-3-carboxamide
CID 46776562
1-[(4-chloro-2-fluorophenyl)methyl]-N-[(1R)-1-phenylpropyl]piperidine-4-carboxamide
CID 100686841
2-(4-chlorophenyl)-N-[(1S)-3-methyl-1-phenylbutyl]acetamide
CID 28567050
1-[(4-chloro-2-fluorophenyl)methyl]-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]piperidine-4-carboxamide
CID 100686926

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-N-[(1R)-3-methyl-1-phenylbutyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-N-[(1R)-3-methyl-1-phenylbutyl]piperidine-4-carboxamide (CID 94025097) is 1-[(4-chlorophenyl)methyl]-N-[(1R)-3-methyl-1-phenylbutyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-N-[(1R)-3-methyl-1-phenylbutyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-N-[(1R)-3-methyl-1-phenylbutyl]piperidine-4-carboxamide is CC(C)C[C@@H](NC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1)c1ccccc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-N-[(1R)-3-methyl-1-phenylbutyl]piperidine-4-carboxamide?
The InChIKey is DDZAJSPGUMXDQJ-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H31ClN2O/c1-18(2)16-23(20-6-4-3-5-7-20)26-24(28)21-12-14-27(15-13-21)17-19-8-10-22(25)11-9-19/h3-11,18,21,23H,12-17H2,1-2H3,(H,26,28)/t23-/m1/s1.
What are the key properties of 1-[(4-chlorophenyl)methyl]-N-[(1R)-3-methyl-1-phenylbutyl]piperidine-4-carboxamide?
1-[(4-chlorophenyl)methyl]-N-[(1R)-3-methyl-1-phenylbutyl]piperidine-4-carboxamide has a molecular weight of 398.98 g/mol, XLogP of 5.46, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-N-[(1R)-3-methyl-1-phenylbutyl]piperidine-4-carboxamide is sourced from PubChem (CID 94025097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).