1-[(3-fluorophenyl)-methylcarbamoyl]-2-methylpiperidine-4-carboxylic acid

C15H19FN2O3 — CID 106744236

IUPAC1-[(3-fluorophenyl)-methylcarbamoyl]-2-methylpiperidine-4-carboxylic acid
SMILESCC1CC(C(=O)O)CCN1C(=O)N(C)c1cccc(F)c1
InChIInChI=1S/C15H19FN2O3/c1-10-8-11(14(19)20)6-7-18(10)15(21)17(2)13-5-3-4-12(16)9-13/h3-5,9-11H,6-8H2,1-2H3,(H,19,20)
InChIKeyKNCZWRMUODHDIO-UHFFFAOYSA-N
MW294.33 g/mol
LogP2.57
Rot. Bonds2

About 1-[(3-fluorophenyl)-methylcarbamoyl]-2-methylpiperidine-4-carboxylic acid

1-[(3-fluorophenyl)-methylcarbamoyl]-2-methylpiperidine-4-carboxylic acid (PubChem CID 106744236) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)-methylcarbamoyl]-2-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(3-fluorophenyl)-methylcarbamoyl]-2-methylpiperidine-4-carboxylic acid
PubChem CID106744236
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Name1-[(3-fluorophenyl)-methylcarbamoyl]-2-methylpiperidine-4-carboxylic acid
SMILESCC1CC(C(=O)O)CCN1C(=O)N(C)c1cccc(F)c1
InChIInChI=1S/C15H19FN2O3/c1-10-8-11(14(19)20)6-7-18(10)15(21)17(2)13-5-3-4-12(16)9-13/h3-5,9-11H,6-8H2,1-2H3,(H,19,20)
InChIKeyKNCZWRMUODHDIO-UHFFFAOYSA-N
XLogP2.57
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(3-fluorophenyl)-methylcarbamoyl]-2-methylpiperidine-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-fluorophenyl)-methylcarbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102782431
2-methyl-1-[methyl-(4-methylphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 106744234
3-[(3-fluorophenyl)-methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103550637
3-[(3-fluorophenyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63783681
1-(2,4-difluorobenzoyl)-2-methylpiperidine-4-carboxylic acid
CID 106741867
1-[(3-hydroxyphenyl)-methylcarbamoyl]-2-methylpyrrolidine-3-carboxylic acid
CID 107737165
2-methyl-1-[2-(N-methylanilino)-2-oxoethyl]piperidine-4-carboxylic acid
CID 106745081
(2R)-2-ethenyl-N-(3-fluorophenyl)-N-methyl-1,3-oxazolidine-3-carboxamide
CID 135143258
(1S,6R)-6-[(3-fluorophenyl)-methylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 104962361
1-[methyl(phenyl)carbamoyl]piperidine-4-carboxylic acid
CID 28513181
1-(2-fluoro-3-methylbenzoyl)-2-methylpiperidine-4-carboxylic acid
CID 106742099
1-[(3-hydroxyphenyl)-methylcarbamoyl]piperidine-2-carboxylic acid
CID 107737239

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)-methylcarbamoyl]-2-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[(3-fluorophenyl)-methylcarbamoyl]-2-methylpiperidine-4-carboxylic acid (CID 106744236) is 1-[(3-fluorophenyl)-methylcarbamoyl]-2-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(3-fluorophenyl)-methylcarbamoyl]-2-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[(3-fluorophenyl)-methylcarbamoyl]-2-methylpiperidine-4-carboxylic acid is CC1CC(C(=O)O)CCN1C(=O)N(C)c1cccc(F)c1.
What is the InChIKey of 1-[(3-fluorophenyl)-methylcarbamoyl]-2-methylpiperidine-4-carboxylic acid?
The InChIKey is KNCZWRMUODHDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3/c1-10-8-11(14(19)20)6-7-18(10)15(21)17(2)13-5-3-4-12(16)9-13/h3-5,9-11H,6-8H2,1-2H3,(H,19,20).
What are the key properties of 1-[(3-fluorophenyl)-methylcarbamoyl]-2-methylpiperidine-4-carboxylic acid?
1-[(3-fluorophenyl)-methylcarbamoyl]-2-methylpiperidine-4-carboxylic acid has a molecular weight of 294.33 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)-methylcarbamoyl]-2-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 106744236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).