1-[(4-ethyl-3-fluorophenyl)carbamoyl]piperidine-4-carboxylic acid

C15H19FN2O3 — CID 122087514

IUPAC1-[(4-ethyl-3-fluorophenyl)carbamoyl]piperidine-4-carboxylic acid
SMILESCCc1ccc(NC(=O)N2CCC(C(=O)O)CC2)cc1F
InChIInChI=1S/C15H19FN2O3/c1-2-10-3-4-12(9-13(10)16)17-15(21)18-7-5-11(6-8-18)14(19)20/h3-4,9,11H,2,5-8H2,1H3,(H,17,21)(H,19,20)
InChIKeyCHOZCVYSSPIACD-UHFFFAOYSA-N
MW294.33 g/mol
LogP2.72
Rot. Bonds3

About 1-[(4-ethyl-3-fluorophenyl)carbamoyl]piperidine-4-carboxylic acid

1-[(4-ethyl-3-fluorophenyl)carbamoyl]piperidine-4-carboxylic acid (PubChem CID 122087514) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is 1-[(4-ethyl-3-fluorophenyl)carbamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(4-ethyl-3-fluorophenyl)carbamoyl]piperidine-4-carboxylic acid
PubChem CID122087514
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Name1-[(4-ethyl-3-fluorophenyl)carbamoyl]piperidine-4-carboxylic acid
SMILESCCc1ccc(NC(=O)N2CCC(C(=O)O)CC2)cc1F
InChIInChI=1S/C15H19FN2O3/c1-2-10-3-4-12(9-13(10)16)17-15(21)18-7-5-11(6-8-18)14(19)20/h3-4,9,11H,2,5-8H2,1H3,(H,17,21)(H,19,20)
InChIKeyCHOZCVYSSPIACD-UHFFFAOYSA-N
XLogP2.72
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[(4-ethyl-3-fluorophenyl)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-[(3,4-diethylphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 122088784
N-(4-ethyl-3-fluorophenyl)-4-methyl-1,4-diazepane-1-carboxamide
CID 75518465
(3S,5S)-N-(4-ethyl-3-fluorophenyl)-3,5-dimethyl-4-oxopiperidine-1-carboxamide
CID 164634113
1-[(3-ethoxy-4-methylphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 122079089
1-[(3,4-dipropoxyphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 122074199
3-(2-amino-2-oxoethyl)-N-(4-ethyl-3-fluorophenyl)piperidine-1-carboxamide
CID 86799909
1-[(3-methylphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 16772166
N-[3-fluoro-4-(methylsulfonylmethyl)phenyl]pyrrolidine-1-carboxamide
CID 71970733
2-fluoro-4-[(4-methylpiperidine-1-carbonyl)amino]benzoic acid
CID 107793053
1-[(4-bromophenyl)carbamoyl]piperidine-4-carboxylic acid
CID 43318514
1-[[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122086116
(3S)-1-[(3,4-difluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 28512909

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethyl-3-fluorophenyl)carbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(4-ethyl-3-fluorophenyl)carbamoyl]piperidine-4-carboxylic acid (CID 122087514) is 1-[(4-ethyl-3-fluorophenyl)carbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(4-ethyl-3-fluorophenyl)carbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(4-ethyl-3-fluorophenyl)carbamoyl]piperidine-4-carboxylic acid is CCc1ccc(NC(=O)N2CCC(C(=O)O)CC2)cc1F.
What is the InChIKey of 1-[(4-ethyl-3-fluorophenyl)carbamoyl]piperidine-4-carboxylic acid?
The InChIKey is CHOZCVYSSPIACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3/c1-2-10-3-4-12(9-13(10)16)17-15(21)18-7-5-11(6-8-18)14(19)20/h3-4,9,11H,2,5-8H2,1H3,(H,17,21)(H,19,20).
What are the key properties of 1-[(4-ethyl-3-fluorophenyl)carbamoyl]piperidine-4-carboxylic acid?
1-[(4-ethyl-3-fluorophenyl)carbamoyl]piperidine-4-carboxylic acid has a molecular weight of 294.33 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethyl-3-fluorophenyl)carbamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 122087514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).