(2S)-N-(4-bromo-3-methylphenyl)-2-methylpiperidine-1-carboxamide

C14H19BrN2O — CID 51944453

IUPAC(2S)-N-(4-bromo-3-methylphenyl)-2-methylpiperidine-1-carboxamide
SMILESCc1cc(NC(=O)N2CCCC[C@@H]2C)ccc1Br
InChIInChI=1S/C14H19BrN2O/c1-10-9-12(6-7-13(10)15)16-14(18)17-8-4-3-5-11(17)2/h6-7,9,11H,3-5,8H2,1-2H3,(H,16,18)/t11-/m0/s1
InChIKeyRDIMZIYVMDVWOK-NSHDSACASA-N
MW311.22 g/mol
LogP4.16
Rot. Bonds1

About (2S)-N-(4-bromo-3-methylphenyl)-2-methylpiperidine-1-carboxamide

(2S)-N-(4-bromo-3-methylphenyl)-2-methylpiperidine-1-carboxamide (PubChem CID 51944453) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is (2S)-N-(4-bromo-3-methylphenyl)-2-methylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-(4-bromo-3-methylphenyl)-2-methylpiperidine-1-carboxamide
PubChem CID51944453
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC Name(2S)-N-(4-bromo-3-methylphenyl)-2-methylpiperidine-1-carboxamide
SMILESCc1cc(NC(=O)N2CCCC[C@@H]2C)ccc1Br
InChIInChI=1S/C14H19BrN2O/c1-10-9-12(6-7-13(10)15)16-14(18)17-8-4-3-5-11(17)2/h6-7,9,11H,3-5,8H2,1-2H3,(H,16,18)/t11-/m0/s1
InChIKeyRDIMZIYVMDVWOK-NSHDSACASA-N
XLogP4.16
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2S)-N-(4-bromo-3-methylphenyl)-2-methylpiperidine-1-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

2-bromo-5-[(2-methylpyrrolidine-1-carbonyl)amino]benzoic acid
CID 113281211
(2S)-N-(3,4-dimethoxyphenyl)-2-methylpiperidine-1-carboxamide
CID 1474768
2,3-dimethyl-5-[(2-methylpyrrolidine-1-carbonyl)amino]benzoic acid
CID 63022107
N-(4-bromo-3-methylphenyl)cyclohexanecarboxamide
CID 766715
2-methyl-N-(4-phenylphenyl)piperidine-1-carboxamide
CID 23823514
N-(4-bromo-3-methylphenyl)-2-(furan-2-yl)pyrrolidine-1-carboxamide
CID 20896018
2-chloro-4-[[(2R)-2-methylpiperidine-1-carbonyl]amino]benzenesulfonyl chloride
CID 99079641
2-methyl-N-(2-methylphenyl)piperidine-1-carboxamide
CID 6460442
2-methyl-N-(4-nitrophenyl)piperidine-1-carboxamide
CID 3456969
(2R)-N-(4-fluorophenyl)-2-methylpyrrolidine-1-carboxamide
CID 90883663
1-(4-bromo-3-methylphenyl)-3-[5-(2-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]urea
CID 22510750
2-[3-[(2-methylpiperidine-1-carbonyl)amino]phenyl]acetic acid
CID 65345932

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-bromo-3-methylphenyl)-2-methylpiperidine-1-carboxamide?
The IUPAC name of (2S)-N-(4-bromo-3-methylphenyl)-2-methylpiperidine-1-carboxamide (CID 51944453) is (2S)-N-(4-bromo-3-methylphenyl)-2-methylpiperidine-1-carboxamide.
What is the SMILES notation for (2S)-N-(4-bromo-3-methylphenyl)-2-methylpiperidine-1-carboxamide?
The canonical SMILES for (2S)-N-(4-bromo-3-methylphenyl)-2-methylpiperidine-1-carboxamide is Cc1cc(NC(=O)N2CCCC[C@@H]2C)ccc1Br.
What is the InChIKey of (2S)-N-(4-bromo-3-methylphenyl)-2-methylpiperidine-1-carboxamide?
The InChIKey is RDIMZIYVMDVWOK-NSHDSACASA-N. The full InChI is InChI=1S/C14H19BrN2O/c1-10-9-12(6-7-13(10)15)16-14(18)17-8-4-3-5-11(17)2/h6-7,9,11H,3-5,8H2,1-2H3,(H,16,18)/t11-/m0/s1.
What are the key properties of (2S)-N-(4-bromo-3-methylphenyl)-2-methylpiperidine-1-carboxamide?
(2S)-N-(4-bromo-3-methylphenyl)-2-methylpiperidine-1-carboxamide has a molecular weight of 311.22 g/mol, XLogP of 4.16, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-bromo-3-methylphenyl)-2-methylpiperidine-1-carboxamide is sourced from PubChem (CID 51944453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).