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

C13H16BrClN2O — CID 17262885

IUPACN-(4-bromo-2-chlorophenyl)-4-methylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)Nc2ccc(Br)cc2Cl)CC1
InChIInChI=1S/C13H16BrClN2O/c1-9-4-6-17(7-5-9)13(18)16-12-3-2-10(14)8-11(12)15/h2-3,8-9H,4-7H2,1H3,(H,16,18)
InChIKeyIMRIPRBMPNKTCT-UHFFFAOYSA-N
MW331.64 g/mol
LogP4.37
Rot. Bonds1

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

N-(4-bromo-2-chlorophenyl)-4-methylpiperidine-1-carboxamide (PubChem CID 17262885) has the molecular formula C13H16BrClN2O and a molecular weight of 331.64 g/mol. Its IUPAC name is N-(4-bromo-2-chlorophenyl)-4-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-chlorophenyl)-4-methylpiperidine-1-carboxamide
PubChem CID17262885
Molecular FormulaC13H16BrClN2O
Molecular Weight331.64 g/mol
Exact Mass330.01
IUPAC NameN-(4-bromo-2-chlorophenyl)-4-methylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)Nc2ccc(Br)cc2Cl)CC1
InChIInChI=1S/C13H16BrClN2O/c1-9-4-6-17(7-5-9)13(18)16-12-3-2-10(14)8-11(12)15/h2-3,8-9H,4-7H2,1H3,(H,16,18)
InChIKeyIMRIPRBMPNKTCT-UHFFFAOYSA-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 N-(4-bromo-2-chlorophenyl)-4-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

(3R)-N-(4-bromo-2-chlorophenyl)-3-methylpiperidine-1-carboxamide
CID 40635770
N-(2-chloro-4-fluorophenyl)-4-methylpiperidine-1-carboxamide
CID 113223020
N-(4-bromo-2-chlorophenyl)-2-(4-methylpiperidin-1-yl)acetamide
CID 22197692
5-bromo-2-[(3-methylpyrrolidine-1-carbonyl)amino]benzoic acid
CID 62074012
N-(4-bromo-5-chloro-2-methylphenyl)-4-methylpiperidine-1-carboxamide
CID 171916668
4-bromo-2-[(4-methylazepane-1-carbonyl)amino]benzoic acid
CID 63625124
2-[1-[(4-bromo-2-chlorophenyl)carbamoyl]piperidin-3-yl]acetic acid
CID 62691337
N-(4-chloro-2-iodophenyl)-4-methylpiperidine-1-carboxamide
CID 103767711
1-[(4-bromo-2-chlorophenyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid
CID 107071299
N-(2,4-dichlorophenyl)-3-methylpiperidine-1-carboxamide
CID 4591854
N-(2-amino-5-chlorophenyl)-4-methylpiperidine-1-carboxamide
CID 79152139
(2S)-N-(4-bromo-2-chlorophenyl)-2-methylpiperazine-1-carboxamide;hydrochloride
CID 171854913

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-chlorophenyl)-4-methylpiperidine-1-carboxamide?
The IUPAC name of N-(4-bromo-2-chlorophenyl)-4-methylpiperidine-1-carboxamide (CID 17262885) is N-(4-bromo-2-chlorophenyl)-4-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-(4-bromo-2-chlorophenyl)-4-methylpiperidine-1-carboxamide?
The canonical SMILES for N-(4-bromo-2-chlorophenyl)-4-methylpiperidine-1-carboxamide is CC1CCN(C(=O)Nc2ccc(Br)cc2Cl)CC1.
What is the InChIKey of N-(4-bromo-2-chlorophenyl)-4-methylpiperidine-1-carboxamide?
The InChIKey is IMRIPRBMPNKTCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrClN2O/c1-9-4-6-17(7-5-9)13(18)16-12-3-2-10(14)8-11(12)15/h2-3,8-9H,4-7H2,1H3,(H,16,18).
What are the key properties of N-(4-bromo-2-chlorophenyl)-4-methylpiperidine-1-carboxamide?
N-(4-bromo-2-chlorophenyl)-4-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 N-(4-bromo-2-chlorophenyl)-4-methylpiperidine-1-carboxamide is sourced from PubChem (CID 17262885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).