1-[(3-bromo-2-chlorophenyl)carbamoyl]piperidine-4-carboxylic acid

C13H14BrClN2O3 — CID 122093009

IUPAC1-[(3-bromo-2-chlorophenyl)carbamoyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)Nc2cccc(Br)c2Cl)CC1
InChIInChI=1S/C13H14BrClN2O3/c14-9-2-1-3-10(11(9)15)16-13(20)17-6-4-8(5-7-17)12(18)19/h1-3,8H,4-7H2,(H,16,20)(H,18,19)
InChIKeySQFJGESNZPMAHE-UHFFFAOYSA-N
MW361.62 g/mol
LogP3.43
Rot. Bonds2

About 1-[(3-bromo-2-chlorophenyl)carbamoyl]piperidine-4-carboxylic acid

1-[(3-bromo-2-chlorophenyl)carbamoyl]piperidine-4-carboxylic acid (PubChem CID 122093009) has the molecular formula C13H14BrClN2O3 and a molecular weight of 361.62 g/mol. Its IUPAC name is 1-[(3-bromo-2-chlorophenyl)carbamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(3-bromo-2-chlorophenyl)carbamoyl]piperidine-4-carboxylic acid
PubChem CID122093009
Molecular FormulaC13H14BrClN2O3
Molecular Weight361.62 g/mol
Exact Mass359.99
IUPAC Name1-[(3-bromo-2-chlorophenyl)carbamoyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)Nc2cccc(Br)c2Cl)CC1
InChIInChI=1S/C13H14BrClN2O3/c14-9-2-1-3-10(11(9)15)16-13(20)17-6-4-8(5-7-17)12(18)19/h1-3,8H,4-7H2,(H,16,20)(H,18,19)
InChIKeySQFJGESNZPMAHE-UHFFFAOYSA-N
XLogP3.43
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.62
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[(3-bromo-2-chlorophenyl)carbamoyl]piperidine-4-carboxylic acid 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-[(2-bromophenyl)carbamoyl]piperidine-4-carboxylic acid
CID 43318513
3-[(3-bromo-2-chlorophenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 167961705
1-[(2-cyano-3-methylphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 107799995
1-[[3-chloro-2-(2-methoxyethoxy)phenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122078161
1-[(4-bromophenyl)carbamoyl]piperidine-4-carboxylic acid
CID 43318514
1-[(3-chloro-2-methoxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122077688
1-[(3-cyano-2-methylphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 122087279
1-[[2-methyl-3-(trifluoromethyl)phenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122086831
1-[(3-methylphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 16772166
2-[1-[(2-bromophenyl)carbamoyl]piperidin-4-yl]acetic acid
CID 79608695
1-[(2-aminophenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63030879
4-cyclopentyl-N-(2,3-dichlorophenyl)piperazine-1-carboxamide
CID 17185082

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromo-2-chlorophenyl)carbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(3-bromo-2-chlorophenyl)carbamoyl]piperidine-4-carboxylic acid (CID 122093009) is 1-[(3-bromo-2-chlorophenyl)carbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(3-bromo-2-chlorophenyl)carbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(3-bromo-2-chlorophenyl)carbamoyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)Nc2cccc(Br)c2Cl)CC1.
What is the InChIKey of 1-[(3-bromo-2-chlorophenyl)carbamoyl]piperidine-4-carboxylic acid?
The InChIKey is SQFJGESNZPMAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrClN2O3/c14-9-2-1-3-10(11(9)15)16-13(20)17-6-4-8(5-7-17)12(18)19/h1-3,8H,4-7H2,(H,16,20)(H,18,19).
What are the key properties of 1-[(3-bromo-2-chlorophenyl)carbamoyl]piperidine-4-carboxylic acid?
1-[(3-bromo-2-chlorophenyl)carbamoyl]piperidine-4-carboxylic acid has a molecular weight of 361.62 g/mol, XLogP of 3.43, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromo-2-chlorophenyl)carbamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 122093009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).