(3S)-N-(4-bromo-2,6-dimethylphenyl)piperidine-3-carboxamide

C14H19BrN2O — CID 28562759

IUPAC(3S)-N-(4-bromo-2,6-dimethylphenyl)piperidine-3-carboxamide
SMILESCc1cc(Br)cc(C)c1NC(=O)[C@H]1CCCNC1
InChIInChI=1S/C14H19BrN2O/c1-9-6-12(15)7-10(2)13(9)17-14(18)11-4-3-5-16-8-11/h6-7,11,16H,3-5,8H2,1-2H3,(H,17,18)/t11-/m0/s1
InChIKeyVQIIBSOTMITMPG-NSHDSACASA-N
MW311.22 g/mol
LogP3.00
Rot. Bonds2

About (3S)-N-(4-bromo-2,6-dimethylphenyl)piperidine-3-carboxamide

(3S)-N-(4-bromo-2,6-dimethylphenyl)piperidine-3-carboxamide (PubChem CID 28562759) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is (3S)-N-(4-bromo-2,6-dimethylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(4-bromo-2,6-dimethylphenyl)piperidine-3-carboxamide
PubChem CID28562759
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC Name(3S)-N-(4-bromo-2,6-dimethylphenyl)piperidine-3-carboxamide
SMILESCc1cc(Br)cc(C)c1NC(=O)[C@H]1CCCNC1
InChIInChI=1S/C14H19BrN2O/c1-9-6-12(15)7-10(2)13(9)17-14(18)11-4-3-5-16-8-11/h6-7,11,16H,3-5,8H2,1-2H3,(H,17,18)/t11-/m0/s1
InChIKeyVQIIBSOTMITMPG-NSHDSACASA-N
XLogP3.00
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3S)-N-(4-bromo-2,6-dimethylphenyl)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

(3S)-N-(2,4,6-tribromophenyl)piperidine-3-carboxamide
CID 28992192
5-chloro-3-methyl-2-(piperidine-3-carbonylamino)benzoic acid
CID 142738187
(3S)-N-(2-bromo-5-chloro-4-methylphenyl)piperidine-3-carboxamide
CID 104723644
(3R)-N-(2,5-dibromophenyl)piperidine-3-carboxamide
CID 81124356
N-(3-fluoro-5-methylphenyl)piperidine-3-carboxamide
CID 79050344
(3S)-N-(5-bromo-2-hydroxyphenyl)piperidine-3-carboxamide
CID 81135195
N-(2-methyl-6-propan-2-ylphenyl)piperidine-3-carboxamide;hydrochloride
CID 119263416
N-(2-chloro-4-methyl-3-pyridinyl)piperidine-3-carboxamide
CID 65490081
N-(2,3,4-trimethylphenyl)piperidine-3-carboxamide
CID 115159866
N-(4-bromo-2-chlorophenyl)piperidine-3-carboxamide
CID 43347399
N-(4,5-dimethoxy-2-methylphenyl)piperidine-3-carboxamide
CID 43708041
(3S)-N-(5-bromo-2-methoxyphenyl)piperidine-3-carboxamide
CID 81140921

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(4-bromo-2,6-dimethylphenyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-(4-bromo-2,6-dimethylphenyl)piperidine-3-carboxamide (CID 28562759) is (3S)-N-(4-bromo-2,6-dimethylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(4-bromo-2,6-dimethylphenyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(4-bromo-2,6-dimethylphenyl)piperidine-3-carboxamide is Cc1cc(Br)cc(C)c1NC(=O)[C@H]1CCCNC1.
What is the InChIKey of (3S)-N-(4-bromo-2,6-dimethylphenyl)piperidine-3-carboxamide?
The InChIKey is VQIIBSOTMITMPG-NSHDSACASA-N. The full InChI is InChI=1S/C14H19BrN2O/c1-9-6-12(15)7-10(2)13(9)17-14(18)11-4-3-5-16-8-11/h6-7,11,16H,3-5,8H2,1-2H3,(H,17,18)/t11-/m0/s1.
What are the key properties of (3S)-N-(4-bromo-2,6-dimethylphenyl)piperidine-3-carboxamide?
(3S)-N-(4-bromo-2,6-dimethylphenyl)piperidine-3-carboxamide has a molecular weight of 311.22 g/mol, XLogP of 3.00, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(4-bromo-2,6-dimethylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 28562759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).