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

C20H23BrN2O — CID 43919037

IUPAC1-[(4-bromophenyl)methyl]-N-(3-methylphenyl)piperidine-4-carboxamide
SMILESCc1cccc(NC(=O)C2CCN(Cc3ccc(Br)cc3)CC2)c1
InChIInChI=1S/C20H23BrN2O/c1-15-3-2-4-19(13-15)22-20(24)17-9-11-23(12-10-17)14-16-5-7-18(21)8-6-16/h2-8,13,17H,9-12,14H2,1H3,(H,22,24)
InChIKeyKJPCDDZYWHLJMM-UHFFFAOYSA-N
MW387.32 g/mol
LogP4.61
Rot. Bonds4

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

1-[(4-bromophenyl)methyl]-N-(3-methylphenyl)piperidine-4-carboxamide (PubChem CID 43919037) has the molecular formula C20H23BrN2O and a molecular weight of 387.32 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methyl]-N-(3-methylphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(4-bromophenyl)methyl]-N-(3-methylphenyl)piperidine-4-carboxamide
PubChem CID43919037
Molecular FormulaC20H23BrN2O
Molecular Weight387.32 g/mol
Exact Mass386.10
IUPAC Name1-[(4-bromophenyl)methyl]-N-(3-methylphenyl)piperidine-4-carboxamide
SMILESCc1cccc(NC(=O)C2CCN(Cc3ccc(Br)cc3)CC2)c1
InChIInChI=1S/C20H23BrN2O/c1-15-3-2-4-19(13-15)22-20(24)17-9-11-23(12-10-17)14-16-5-7-18(21)8-6-16/h2-8,13,17H,9-12,14H2,1H3,(H,22,24)
InChIKeyKJPCDDZYWHLJMM-UHFFFAOYSA-N
XLogP4.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.32
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-acetamidophenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 45019946
1-[(4-bromophenyl)methyl]-N-(2,5-dimethylphenyl)piperidine-4-carboxamide
CID 43919152
1-[(4-bromophenyl)methyl]-N-(4-chloro-2-methylphenyl)piperidine-4-carboxamide
CID 43921575
N-[4-(3-methylphenyl)phenyl]-1-(pyridin-4-ylmethyl)piperidine-4-carboxamide
CID 25289485
1-[(3-methylphenyl)methyl]-N-pyridin-3-ylpiperidine-4-carboxamide
CID 27234910
N-(3-bromophenyl)-1-[(4-bromophenyl)methyl]piperidine-3-carboxamide
CID 43919496
1-[(4-chlorophenyl)methyl]-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 45019171
1-N,4-N-bis(3-methylphenyl)piperidine-1,4-dicarboxamide
CID 3222755
1-[(3-chlorophenyl)methyl]-N-(4-methylphenyl)piperidine-4-carboxamide
CID 53284862
N-(4-bromo-3-chlorophenyl)-1-[(3-bromophenyl)methyl]piperidine-4-carboxamide
CID 43924887
methyl 4-[[1-[(3-methylphenyl)methyl]piperidine-4-carbonyl]amino]benzoate
CID 45007013
1-[(4-bromophenyl)methyl]-N-(3-fluorophenyl)piperidine-3-carboxamide
CID 43922322

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)methyl]-N-(3-methylphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[(4-bromophenyl)methyl]-N-(3-methylphenyl)piperidine-4-carboxamide (CID 43919037) is 1-[(4-bromophenyl)methyl]-N-(3-methylphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(4-bromophenyl)methyl]-N-(3-methylphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(4-bromophenyl)methyl]-N-(3-methylphenyl)piperidine-4-carboxamide is Cc1cccc(NC(=O)C2CCN(Cc3ccc(Br)cc3)CC2)c1.
What is the InChIKey of 1-[(4-bromophenyl)methyl]-N-(3-methylphenyl)piperidine-4-carboxamide?
The InChIKey is KJPCDDZYWHLJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN2O/c1-15-3-2-4-19(13-15)22-20(24)17-9-11-23(12-10-17)14-16-5-7-18(21)8-6-16/h2-8,13,17H,9-12,14H2,1H3,(H,22,24).
What are the key properties of 1-[(4-bromophenyl)methyl]-N-(3-methylphenyl)piperidine-4-carboxamide?
1-[(4-bromophenyl)methyl]-N-(3-methylphenyl)piperidine-4-carboxamide has a molecular weight of 387.32 g/mol, XLogP of 4.61, 4 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-methylphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 43919037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).