1-[(5-carbamoyl-2-fluorophenyl)methyl]piperidine-3-carboxylic acid

C14H17FN2O3 — CID 43440688

IUPAC1-[(5-carbamoyl-2-fluorophenyl)methyl]piperidine-3-carboxylic acid
SMILESNC(=O)c1ccc(F)c(CN2CCCC(C(=O)O)C2)c1
InChIInChI=1S/C14H17FN2O3/c15-12-4-3-9(13(16)18)6-11(12)8-17-5-1-2-10(7-17)14(19)20/h3-4,6,10H,1-2,5,7-8H2,(H2,16,18)(H,19,20)
InChIKeyDFJNVXXKOHXMRC-UHFFFAOYSA-N
MW280.30 g/mol
LogP1.22
Rot. Bonds4

About 1-[(5-carbamoyl-2-fluorophenyl)methyl]piperidine-3-carboxylic acid

1-[(5-carbamoyl-2-fluorophenyl)methyl]piperidine-3-carboxylic acid (PubChem CID 43440688) has the molecular formula C14H17FN2O3 and a molecular weight of 280.30 g/mol. Its IUPAC name is 1-[(5-carbamoyl-2-fluorophenyl)methyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(5-carbamoyl-2-fluorophenyl)methyl]piperidine-3-carboxylic acid
PubChem CID43440688
Molecular FormulaC14H17FN2O3
Molecular Weight280.30 g/mol
Exact Mass280.12
IUPAC Name1-[(5-carbamoyl-2-fluorophenyl)methyl]piperidine-3-carboxylic acid
SMILESNC(=O)c1ccc(F)c(CN2CCCC(C(=O)O)C2)c1
InChIInChI=1S/C14H17FN2O3/c15-12-4-3-9(13(16)18)6-11(12)8-17-5-1-2-10(7-17)14(19)20/h3-4,6,10H,1-2,5,7-8H2,(H2,16,18)(H,19,20)
InChIKeyDFJNVXXKOHXMRC-UHFFFAOYSA-N
XLogP1.22
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(5-carbamoyl-2-fluorophenyl)methyl]piperidine-3-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-[(2,5-difluorophenyl)methyl]piperidine-3-carboxylic acid
CID 24904996
1-[(2,4-difluorophenyl)methyl]piperidine-3-carboxylic acid
CID 4555188
4-[[(3R)-3-aminopiperidin-1-yl]methyl]-3-fluorobenzamide
CID 102985021
1-[(2-carbamoylphenyl)methyl]piperidine-3-carboxylic acid
CID 43440689
1-[(4-fluoro-2-hydroxyphenyl)methyl]piperidine-3-carboxylic acid
CID 178133859
2-[4-[(5-carbamoyl-2-fluorophenyl)methyl]piperazin-1-yl]acetic acid
CID 43521874
1-[(5-chloro-2-fluorophenyl)methyl]-N'-hydroxypiperidine-3-carboximidamide
CID 103046735
3-[[2-(aminomethyl)pyrrolidin-1-yl]methyl]-4-fluorobenzamide
CID 113284506
(3S)-1-[(4-fluoro-3-methylphenyl)methyl]piperidine-3-carboxylic acid
CID 24904719
4-fluoro-3-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]benzoic acid
CID 63531473
(3R)-1-[(4-chloro-2-methylphenyl)methyl]piperidine-3-carboxylic acid
CID 24904832
1-[(4-fluoro-3-methylphenyl)methyl]piperidine-3-carboxylic acid;hydrochloride
CID 45075015

Frequently Asked Questions

What is the IUPAC name of 1-[(5-carbamoyl-2-fluorophenyl)methyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[(5-carbamoyl-2-fluorophenyl)methyl]piperidine-3-carboxylic acid (CID 43440688) is 1-[(5-carbamoyl-2-fluorophenyl)methyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(5-carbamoyl-2-fluorophenyl)methyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[(5-carbamoyl-2-fluorophenyl)methyl]piperidine-3-carboxylic acid is NC(=O)c1ccc(F)c(CN2CCCC(C(=O)O)C2)c1.
What is the InChIKey of 1-[(5-carbamoyl-2-fluorophenyl)methyl]piperidine-3-carboxylic acid?
The InChIKey is DFJNVXXKOHXMRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O3/c15-12-4-3-9(13(16)18)6-11(12)8-17-5-1-2-10(7-17)14(19)20/h3-4,6,10H,1-2,5,7-8H2,(H2,16,18)(H,19,20).
What are the key properties of 1-[(5-carbamoyl-2-fluorophenyl)methyl]piperidine-3-carboxylic acid?
1-[(5-carbamoyl-2-fluorophenyl)methyl]piperidine-3-carboxylic acid has a molecular weight of 280.30 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-carbamoyl-2-fluorophenyl)methyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 43440688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).