1-[(4-bromophenyl)methyl]-N-[1-(3,4-dimethylphenyl)ethyl]piperidine-4-carboxamide

C23H29BrN2O — CID 46766659

IUPAC1-[(4-bromophenyl)methyl]-N-[1-(3,4-dimethylphenyl)ethyl]piperidine-4-carboxamide
SMILESCc1ccc(C(C)NC(=O)C2CCN(Cc3ccc(Br)cc3)CC2)cc1C
InChIInChI=1S/C23H29BrN2O/c1-16-4-7-21(14-17(16)2)18(3)25-23(27)20-10-12-26(13-11-20)15-19-5-8-22(24)9-6-19/h4-9,14,18,20H,10-13,15H2,1-3H3,(H,25,27)
InChIKeyHFFPZBZKLBLUQN-UHFFFAOYSA-N
MW429.40 g/mol
LogP5.16
Rot. Bonds5

About 1-[(4-bromophenyl)methyl]-N-[1-(3,4-dimethylphenyl)ethyl]piperidine-4-carboxamide

1-[(4-bromophenyl)methyl]-N-[1-(3,4-dimethylphenyl)ethyl]piperidine-4-carboxamide (PubChem CID 46766659) has the molecular formula C23H29BrN2O and a molecular weight of 429.40 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methyl]-N-[1-(3,4-dimethylphenyl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(4-bromophenyl)methyl]-N-[1-(3,4-dimethylphenyl)ethyl]piperidine-4-carboxamide
PubChem CID46766659
Molecular FormulaC23H29BrN2O
Molecular Weight429.40 g/mol
Exact Mass428.15
IUPAC Name1-[(4-bromophenyl)methyl]-N-[1-(3,4-dimethylphenyl)ethyl]piperidine-4-carboxamide
SMILESCc1ccc(C(C)NC(=O)C2CCN(Cc3ccc(Br)cc3)CC2)cc1C
InChIInChI=1S/C23H29BrN2O/c1-16-4-7-21(14-17(16)2)18(3)25-23(27)20-10-12-26(13-11-20)15-19-5-8-22(24)9-6-19/h4-9,14,18,20H,10-13,15H2,1-3H3,(H,25,27)
InChIKeyHFFPZBZKLBLUQN-UHFFFAOYSA-N
XLogP5.16
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.40
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 94013963
N-[1-(3,4-dimethylphenyl)ethyl]-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 46766661
N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 94013959
1-[(4-bromophenyl)methyl]-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]piperidine-4-carboxamide
CID 133217343
1-[(4-fluorophenyl)methyl]-N-[1-(4-methylphenyl)ethyl]piperidine-4-carboxamide
CID 46776173
1-[(4-bromophenyl)methyl]-N-(3-methyl-1-phenylbutyl)piperidine-4-carboxamide
CID 46776584
1-[(4-fluorophenyl)methyl]-N-[1-(2,4,5-trimethylphenyl)ethyl]piperidine-4-carboxamide
CID 133220208
1-[(3,4-dichlorophenyl)methyl]-N-[(1S)-1-(3,4-dimethylphenyl)propyl]piperidine-4-carboxamide
CID 94014039
1-[(4-bromophenyl)methyl]-N-(2,5-dimethylphenyl)piperidine-4-carboxamide
CID 43919152
1-[(4-chlorophenyl)methyl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 2187102
4-[1-(3,4-dimethylphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672658
1-benzyl-N-[(1S)-1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 94024263

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)methyl]-N-[1-(3,4-dimethylphenyl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(4-bromophenyl)methyl]-N-[1-(3,4-dimethylphenyl)ethyl]piperidine-4-carboxamide (CID 46766659) is 1-[(4-bromophenyl)methyl]-N-[1-(3,4-dimethylphenyl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(4-bromophenyl)methyl]-N-[1-(3,4-dimethylphenyl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(4-bromophenyl)methyl]-N-[1-(3,4-dimethylphenyl)ethyl]piperidine-4-carboxamide is Cc1ccc(C(C)NC(=O)C2CCN(Cc3ccc(Br)cc3)CC2)cc1C.
What is the InChIKey of 1-[(4-bromophenyl)methyl]-N-[1-(3,4-dimethylphenyl)ethyl]piperidine-4-carboxamide?
The InChIKey is HFFPZBZKLBLUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29BrN2O/c1-16-4-7-21(14-17(16)2)18(3)25-23(27)20-10-12-26(13-11-20)15-19-5-8-22(24)9-6-19/h4-9,14,18,20H,10-13,15H2,1-3H3,(H,25,27).
What are the key properties of 1-[(4-bromophenyl)methyl]-N-[1-(3,4-dimethylphenyl)ethyl]piperidine-4-carboxamide?
1-[(4-bromophenyl)methyl]-N-[1-(3,4-dimethylphenyl)ethyl]piperidine-4-carboxamide has a molecular weight of 429.40 g/mol, XLogP of 5.16, 5 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-[1-(3,4-dimethylphenyl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 46766659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).