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

C24H31BrN2O — CID 46776584

IUPAC1-[(4-bromophenyl)methyl]-N-(3-methyl-1-phenylbutyl)piperidine-4-carboxamide
SMILESCC(C)CC(NC(=O)C1CCN(Cc2ccc(Br)cc2)CC1)c1ccccc1
InChIInChI=1S/C24H31BrN2O/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)
InChIKeyOQVDULGBTJCHAI-UHFFFAOYSA-N
MW443.43 g/mol
LogP5.56
Rot. Bonds7

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

1-[(4-bromophenyl)methyl]-N-(3-methyl-1-phenylbutyl)piperidine-4-carboxamide (PubChem CID 46776584) has the molecular formula C24H31BrN2O and a molecular weight of 443.43 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methyl]-N-(3-methyl-1-phenylbutyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(4-bromophenyl)methyl]-N-(3-methyl-1-phenylbutyl)piperidine-4-carboxamide
PubChem CID46776584
Molecular FormulaC24H31BrN2O
Molecular Weight443.43 g/mol
Exact Mass442.16
IUPAC Name1-[(4-bromophenyl)methyl]-N-(3-methyl-1-phenylbutyl)piperidine-4-carboxamide
SMILESCC(C)CC(NC(=O)C1CCN(Cc2ccc(Br)cc2)CC1)c1ccccc1
InChIInChI=1S/C24H31BrN2O/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)
InChIKeyOQVDULGBTJCHAI-UHFFFAOYSA-N
XLogP5.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.43
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-chlorophenyl)methyl]-N-[(1R)-3-methyl-1-phenylbutyl]piperidine-4-carboxamide
CID 94025097
1-[(2,4-dichlorophenyl)methyl]-N-[(1S)-3-methyl-1-phenylbutyl]piperidine-4-carboxamide
CID 94025099
1-[(2-chloro-6-fluorophenyl)methyl]-N-[(1S)-3-methyl-1-phenylbutyl]piperidine-4-carboxamide
CID 94025120
1-[(4-bromophenyl)methyl]-N-[1-(3,4-dimethylphenyl)ethyl]piperidine-4-carboxamide
CID 46766659
3-[(1-benzylpiperidine-4-carbonyl)amino]-2-methyl-3-phenylpropanoic acid
CID 119219104
1-[(4-chlorophenyl)methyl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 2187102
1-[(4-methoxyphenyl)methyl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 51361840
N-benzhydryl-1-[(4-chlorophenyl)methyl]piperidine-4-carboxamide
CID 45016872
2-[(1-benzylpiperidine-4-carbonyl)amino]-2-phenylacetic acid
CID 119197415
1-[(4-methylphenyl)methyl]-N-[(1R)-1-(4-methylphenyl)propyl]piperidine-4-carboxamide
CID 94024761
1-[(2-chlorophenyl)methyl]-N-(3-methyl-1-phenylbutyl)piperidine-3-carboxamide
CID 46776562
N-[(1R)-3-methyl-1-phenylbutyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 25478191

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)methyl]-N-(3-methyl-1-phenylbutyl)piperidine-4-carboxamide?
The IUPAC name of 1-[(4-bromophenyl)methyl]-N-(3-methyl-1-phenylbutyl)piperidine-4-carboxamide (CID 46776584) is 1-[(4-bromophenyl)methyl]-N-(3-methyl-1-phenylbutyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(4-bromophenyl)methyl]-N-(3-methyl-1-phenylbutyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(4-bromophenyl)methyl]-N-(3-methyl-1-phenylbutyl)piperidine-4-carboxamide is CC(C)CC(NC(=O)C1CCN(Cc2ccc(Br)cc2)CC1)c1ccccc1.
What is the InChIKey of 1-[(4-bromophenyl)methyl]-N-(3-methyl-1-phenylbutyl)piperidine-4-carboxamide?
The InChIKey is OQVDULGBTJCHAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31BrN2O/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).
What are the key properties of 1-[(4-bromophenyl)methyl]-N-(3-methyl-1-phenylbutyl)piperidine-4-carboxamide?
1-[(4-bromophenyl)methyl]-N-(3-methyl-1-phenylbutyl)piperidine-4-carboxamide has a molecular weight of 443.43 g/mol, XLogP of 5.56, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)methyl]-N-(3-methyl-1-phenylbutyl)piperidine-4-carboxamide is sourced from PubChem (CID 46776584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).