(3R)-N-(4-bromo-2-chlorophenyl)-3-methylpiperidine-1-carboxamide

C13H16BrClN2O — CID 40635770

IUPAC(3R)-N-(4-bromo-2-chlorophenyl)-3-methylpiperidine-1-carboxamide
SMILESC[C@@H]1CCCN(C(=O)Nc2ccc(Br)cc2Cl)C1
InChIInChI=1S/C13H16BrClN2O/c1-9-3-2-6-17(8-9)13(18)16-12-5-4-10(14)7-11(12)15/h4-5,7,9H,2-3,6,8H2,1H3,(H,16,18)/t9-/m1/s1
InChIKeyVVSIWXOUQGWQBU-SECBINFHSA-N
MW331.64 g/mol
LogP4.37
Rot. Bonds1

About (3R)-N-(4-bromo-2-chlorophenyl)-3-methylpiperidine-1-carboxamide

(3R)-N-(4-bromo-2-chlorophenyl)-3-methylpiperidine-1-carboxamide (PubChem CID 40635770) has the molecular formula C13H16BrClN2O and a molecular weight of 331.64 g/mol. Its IUPAC name is (3R)-N-(4-bromo-2-chlorophenyl)-3-methylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-(4-bromo-2-chlorophenyl)-3-methylpiperidine-1-carboxamide
PubChem CID40635770
Molecular FormulaC13H16BrClN2O
Molecular Weight331.64 g/mol
Exact Mass330.01
IUPAC Name(3R)-N-(4-bromo-2-chlorophenyl)-3-methylpiperidine-1-carboxamide
SMILESC[C@@H]1CCCN(C(=O)Nc2ccc(Br)cc2Cl)C1
InChIInChI=1S/C13H16BrClN2O/c1-9-3-2-6-17(8-9)13(18)16-12-5-4-10(14)7-11(12)15/h4-5,7,9H,2-3,6,8H2,1H3,(H,16,18)/t9-/m1/s1
InChIKeyVVSIWXOUQGWQBU-SECBINFHSA-N
XLogP4.37
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.64
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (3R)-N-(4-bromo-2-chlorophenyl)-3-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

N-(2,4-dichlorophenyl)-3-methylpiperidine-1-carboxamide
CID 4591854
N-(4-bromo-2-chlorophenyl)-4-methylpiperidine-1-carboxamide
CID 17262885
2-[1-[(4-bromo-2-chlorophenyl)carbamoyl]piperidin-3-yl]acetic acid
CID 62691337
N-(2-bromo-5-chlorophenyl)-3-methylpiperidine-1-carboxamide
CID 81273796
N-(4-chloro-2-fluorophenyl)-3-methylpiperidine-1-carboxamide
CID 17250026
(5-bromo-2-chlorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 17217216
1-[(4-bromo-2-chlorophenyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid
CID 107071299
5-bromo-2-[(3-methylpyrrolidine-1-carbonyl)amino]benzoic acid
CID 62074012
4-bromo-2-[(4-methylazepane-1-carbonyl)amino]benzoic acid
CID 63625124
N-(4-bromo-2-chlorophenyl)-2-(4-methylpiperidin-1-yl)acetamide
CID 22197692
N-(2-chloro-4-methylphenyl)azocane-1-carboxamide
CID 17180409
N-(5-bromo-2-chlorophenyl)piperidine-1-carboxamide
CID 112730281

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(4-bromo-2-chlorophenyl)-3-methylpiperidine-1-carboxamide?
The IUPAC name of (3R)-N-(4-bromo-2-chlorophenyl)-3-methylpiperidine-1-carboxamide (CID 40635770) is (3R)-N-(4-bromo-2-chlorophenyl)-3-methylpiperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-(4-bromo-2-chlorophenyl)-3-methylpiperidine-1-carboxamide?
The canonical SMILES for (3R)-N-(4-bromo-2-chlorophenyl)-3-methylpiperidine-1-carboxamide is C[C@@H]1CCCN(C(=O)Nc2ccc(Br)cc2Cl)C1.
What is the InChIKey of (3R)-N-(4-bromo-2-chlorophenyl)-3-methylpiperidine-1-carboxamide?
The InChIKey is VVSIWXOUQGWQBU-SECBINFHSA-N. The full InChI is InChI=1S/C13H16BrClN2O/c1-9-3-2-6-17(8-9)13(18)16-12-5-4-10(14)7-11(12)15/h4-5,7,9H,2-3,6,8H2,1H3,(H,16,18)/t9-/m1/s1.
What are the key properties of (3R)-N-(4-bromo-2-chlorophenyl)-3-methylpiperidine-1-carboxamide?
(3R)-N-(4-bromo-2-chlorophenyl)-3-methylpiperidine-1-carboxamide has a molecular weight of 331.64 g/mol, XLogP of 4.37, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(4-bromo-2-chlorophenyl)-3-methylpiperidine-1-carboxamide is sourced from PubChem (CID 40635770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).