1-[(4-bromo-3-fluorophenyl)methylcarbamoyl]piperidine-4-carboxylic acid

C14H16BrFN2O3 — CID 122001837

IUPAC1-[(4-bromo-3-fluorophenyl)methylcarbamoyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)NCc2ccc(Br)c(F)c2)CC1
InChIInChI=1S/C14H16BrFN2O3/c15-11-2-1-9(7-12(11)16)8-17-14(21)18-5-3-10(4-6-18)13(19)20/h1-2,7,10H,3-6,8H2,(H,17,21)(H,19,20)
InChIKeyBQUQWRHMQFOROV-UHFFFAOYSA-N
MW359.20 g/mol
LogP2.59
Rot. Bonds3

About 1-[(4-bromo-3-fluorophenyl)methylcarbamoyl]piperidine-4-carboxylic acid

1-[(4-bromo-3-fluorophenyl)methylcarbamoyl]piperidine-4-carboxylic acid (PubChem CID 122001837) has the molecular formula C14H16BrFN2O3 and a molecular weight of 359.20 g/mol. Its IUPAC name is 1-[(4-bromo-3-fluorophenyl)methylcarbamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(4-bromo-3-fluorophenyl)methylcarbamoyl]piperidine-4-carboxylic acid
PubChem CID122001837
Molecular FormulaC14H16BrFN2O3
Molecular Weight359.20 g/mol
Exact Mass358.03
IUPAC Name1-[(4-bromo-3-fluorophenyl)methylcarbamoyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)NCc2ccc(Br)c(F)c2)CC1
InChIInChI=1S/C14H16BrFN2O3/c15-11-2-1-9(7-12(11)16)8-17-14(21)18-5-3-10(4-6-18)13(19)20/h1-2,7,10H,3-6,8H2,(H,17,21)(H,19,20)
InChIKeyBQUQWRHMQFOROV-UHFFFAOYSA-N
XLogP2.59
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.20
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[(4-bromo-3-fluorophenyl)methylcarbamoyl]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

(3S)-1-[(4-bromo-3-fluorophenyl)methyl]pyrrolidine-3-carboxylic acid
CID 124596596
1-[(4-bromo-2,6-difluorophenyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122011027
1-[(3-methyl-4-phenylphenyl)methylcarbamoyl]piperidine-4-carboxylic acid
CID 122010895
ethyl 1-[N-[(4-bromo-3-fluorophenyl)methyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111157536
1-[[4-[(2-fluorophenyl)methoxy]phenyl]methylcarbamoyl]piperidine-4-carboxylic acid
CID 122010210
2-[(4-bromo-3-fluorophenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119185191
3-[(4-bromo-3-fluorophenyl)methylamino]cyclohexane-1-carboxylic acid
CID 81441131
1-[(2-bromo-4,6-difluorophenyl)carbamoyl]piperidine-4-carboxylic acid
CID 43168350
1-[(4-ethylphenyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 106900468
4-[(4-bromo-3-fluorophenyl)methyl]piperidine-1-carboxylic acid
CID 67000077
1-N-[(3-fluorophenyl)methyl]piperidine-1,4-dicarboxamide
CID 47027642
1-[(6-methoxy-3-pyridinyl)methylcarbamoyl]piperidine-4-carboxylic acid
CID 62992812

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromo-3-fluorophenyl)methylcarbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(4-bromo-3-fluorophenyl)methylcarbamoyl]piperidine-4-carboxylic acid (CID 122001837) is 1-[(4-bromo-3-fluorophenyl)methylcarbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(4-bromo-3-fluorophenyl)methylcarbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(4-bromo-3-fluorophenyl)methylcarbamoyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)NCc2ccc(Br)c(F)c2)CC1.
What is the InChIKey of 1-[(4-bromo-3-fluorophenyl)methylcarbamoyl]piperidine-4-carboxylic acid?
The InChIKey is BQUQWRHMQFOROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrFN2O3/c15-11-2-1-9(7-12(11)16)8-17-14(21)18-5-3-10(4-6-18)13(19)20/h1-2,7,10H,3-6,8H2,(H,17,21)(H,19,20).
What are the key properties of 1-[(4-bromo-3-fluorophenyl)methylcarbamoyl]piperidine-4-carboxylic acid?
1-[(4-bromo-3-fluorophenyl)methylcarbamoyl]piperidine-4-carboxylic acid has a molecular weight of 359.20 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromo-3-fluorophenyl)methylcarbamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 122001837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).