1-[(4-bromophenyl)carbamoyl]piperidine-4-carboxylic acid

C13H15BrN2O3 — CID 43318514

IUPAC1-[(4-bromophenyl)carbamoyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)Nc2ccc(Br)cc2)CC1
InChIInChI=1S/C13H15BrN2O3/c14-10-1-3-11(4-2-10)15-13(19)16-7-5-9(6-8-16)12(17)18/h1-4,9H,5-8H2,(H,15,19)(H,17,18)
InChIKeyNPXVQBZFVLFKAT-UHFFFAOYSA-N
MW327.18 g/mol
LogP2.78
Rot. Bonds2

About 1-[(4-bromophenyl)carbamoyl]piperidine-4-carboxylic acid

1-[(4-bromophenyl)carbamoyl]piperidine-4-carboxylic acid (PubChem CID 43318514) has the molecular formula C13H15BrN2O3 and a molecular weight of 327.18 g/mol. Its IUPAC name is 1-[(4-bromophenyl)carbamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(4-bromophenyl)carbamoyl]piperidine-4-carboxylic acid
PubChem CID43318514
Molecular FormulaC13H15BrN2O3
Molecular Weight327.18 g/mol
Exact Mass326.03
IUPAC Name1-[(4-bromophenyl)carbamoyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)Nc2ccc(Br)cc2)CC1
InChIInChI=1S/C13H15BrN2O3/c14-10-1-3-11(4-2-10)15-13(19)16-7-5-9(6-8-16)12(17)18/h1-4,9H,5-8H2,(H,15,19)(H,17,18)
InChIKeyNPXVQBZFVLFKAT-UHFFFAOYSA-N
XLogP2.78
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.18
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[(4-bromophenyl)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

N-(4-bromophenyl)azocane-1-carboxamide
CID 3245808
1-[(4-bromophenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122101767
1-[[4-(3-phenylpropyl)phenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122078818
1-[(3-methylphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 16772166
N-(4-bromophenyl)-4-(cyclohexanecarbonylamino)piperidine-1-carboxamide
CID 127145539
N-(4-bromophenyl)-4-cyclopentylpiperazine-1-carboxamide
CID 17185073
1-[(2-bromophenyl)carbamoyl]piperidine-4-carboxylic acid
CID 43318513
1-[[(1R)-1-(4-bromophenyl)ethyl]carbamoyl]piperidine-4-carboxylic acid
CID 122011951
1-[(3,4-diethylphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 122088784
(3R)-N-(4-bromophenyl)-3-sulfamoylpyrrolidine-1-carboxamide
CID 96542782
1-[(4-acetylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63031650
1-[[4-(2,2,2-trifluoroethoxy)phenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122075150

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)carbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(4-bromophenyl)carbamoyl]piperidine-4-carboxylic acid (CID 43318514) is 1-[(4-bromophenyl)carbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(4-bromophenyl)carbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(4-bromophenyl)carbamoyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)Nc2ccc(Br)cc2)CC1.
What is the InChIKey of 1-[(4-bromophenyl)carbamoyl]piperidine-4-carboxylic acid?
The InChIKey is NPXVQBZFVLFKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O3/c14-10-1-3-11(4-2-10)15-13(19)16-7-5-9(6-8-16)12(17)18/h1-4,9H,5-8H2,(H,15,19)(H,17,18).
What are the key properties of 1-[(4-bromophenyl)carbamoyl]piperidine-4-carboxylic acid?
1-[(4-bromophenyl)carbamoyl]piperidine-4-carboxylic acid has a molecular weight of 327.18 g/mol, XLogP of 2.78, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)carbamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 43318514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).