1-acetyl-N-(4-bromo-2-methylphenyl)piperidine-3-carboxamide

C15H19BrN2O2 — CID 110686178

IUPAC1-acetyl-N-(4-bromo-2-methylphenyl)piperidine-3-carboxamide
SMILESCC(=O)N1CCCC(C(=O)Nc2ccc(Br)cc2C)C1
InChIInChI=1S/C15H19BrN2O2/c1-10-8-13(16)5-6-14(10)17-15(20)12-4-3-7-18(9-12)11(2)19/h5-6,8,12H,3-4,7,9H2,1-2H3,(H,17,20)
InChIKeyJFKLPBREMKOVOE-UHFFFAOYSA-N
MW339.23 g/mol
LogP2.95
Rot. Bonds2

About 1-acetyl-N-(4-bromo-2-methylphenyl)piperidine-3-carboxamide

1-acetyl-N-(4-bromo-2-methylphenyl)piperidine-3-carboxamide (PubChem CID 110686178) has the molecular formula C15H19BrN2O2 and a molecular weight of 339.23 g/mol. Its IUPAC name is 1-acetyl-N-(4-bromo-2-methylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-(4-bromo-2-methylphenyl)piperidine-3-carboxamide
PubChem CID110686178
Molecular FormulaC15H19BrN2O2
Molecular Weight339.23 g/mol
Exact Mass338.06
IUPAC Name1-acetyl-N-(4-bromo-2-methylphenyl)piperidine-3-carboxamide
SMILESCC(=O)N1CCCC(C(=O)Nc2ccc(Br)cc2C)C1
InChIInChI=1S/C15H19BrN2O2/c1-10-8-13(16)5-6-14(10)17-15(20)12-4-3-7-18(9-12)11(2)19/h5-6,8,12H,3-4,7,9H2,1-2H3,(H,17,20)
InChIKeyJFKLPBREMKOVOE-UHFFFAOYSA-N
XLogP2.95
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.23
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-acetyl-N-(4-bromo-2-methylphenyl)piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-acetyl-N-(4-chloro-2-methylphenyl)piperidine-3-carboxamide
CID 47118469
N-(4-bromo-2-methylphenyl)cyclohexanecarboxamide
CID 798737
(3S)-1-acetyl-N-(3-methylphenyl)piperidine-3-carboxamide
CID 9039260
N-(4-bromo-2-methylphenyl)-1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidine-3-carboxamide
CID 90514637
4-N-(4-bromo-2-methylphenyl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 56922800
(3S)-1-acetyl-N-(3-chloro-4-methylphenyl)piperidine-3-carboxamide
CID 9068498
1-acetyl-N-(2-tert-butylphenyl)piperidine-3-carboxamide
CID 110686139
3-amino-N-(4-bromo-2-methylphenyl)cyclohexane-1-carboxamide
CID 63042143
(3S)-N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 39991156
1-acetyl-N-(2-chloro-4,6-dimethylphenyl)piperidine-3-carboxamide
CID 110686145
N-(4-bromo-2-methylphenyl)-1-cyclopropylsulfonylazetidine-3-carboxamide
CID 90513463
N-(4-bromo-2-methylphenyl)-1,1-dioxothiane-3-carboxamide
CID 110863036

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(4-bromo-2-methylphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-acetyl-N-(4-bromo-2-methylphenyl)piperidine-3-carboxamide (CID 110686178) is 1-acetyl-N-(4-bromo-2-methylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-acetyl-N-(4-bromo-2-methylphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-acetyl-N-(4-bromo-2-methylphenyl)piperidine-3-carboxamide is CC(=O)N1CCCC(C(=O)Nc2ccc(Br)cc2C)C1.
What is the InChIKey of 1-acetyl-N-(4-bromo-2-methylphenyl)piperidine-3-carboxamide?
The InChIKey is JFKLPBREMKOVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O2/c1-10-8-13(16)5-6-14(10)17-15(20)12-4-3-7-18(9-12)11(2)19/h5-6,8,12H,3-4,7,9H2,1-2H3,(H,17,20).
What are the key properties of 1-acetyl-N-(4-bromo-2-methylphenyl)piperidine-3-carboxamide?
1-acetyl-N-(4-bromo-2-methylphenyl)piperidine-3-carboxamide has a molecular weight of 339.23 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(4-bromo-2-methylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 110686178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).