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

C13H15FN2O3 — CID 175733290

IUPAC2-[(3-fluorophenyl)carbamoyl]piperidine-1-carboxylic acid
SMILESO=C(Nc1cccc(F)c1)C1CCCCN1C(=O)O
InChIInChI=1S/C13H15FN2O3/c14-9-4-3-5-10(8-9)15-12(17)11-6-1-2-7-16(11)13(18)19/h3-5,8,11H,1-2,6-7H2,(H,15,17)(H,18,19)
InChIKeyNRIXMFPATBSKSU-UHFFFAOYSA-N
MW266.27 g/mol
LogP2.30
Rot. Bonds2

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

2-[(3-fluorophenyl)carbamoyl]piperidine-1-carboxylic acid (PubChem CID 175733290) has the molecular formula C13H15FN2O3 and a molecular weight of 266.27 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)carbamoyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name2-[(3-fluorophenyl)carbamoyl]piperidine-1-carboxylic acid
PubChem CID175733290
Molecular FormulaC13H15FN2O3
Molecular Weight266.27 g/mol
Exact Mass266.11
IUPAC Name2-[(3-fluorophenyl)carbamoyl]piperidine-1-carboxylic acid
SMILESO=C(Nc1cccc(F)c1)C1CCCCN1C(=O)O
InChIInChI=1S/C13H15FN2O3/c14-9-4-3-5-10(8-9)15-12(17)11-6-1-2-7-16(11)13(18)19/h3-5,8,11H,1-2,6-7H2,(H,15,17)(H,18,19)
InChIKeyNRIXMFPATBSKSU-UHFFFAOYSA-N
XLogP2.30
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-N-(3-fluorophenyl)-2-N-phenylpyrrolidine-1,2-dicarboxamide
CID 1443127
(2R)-1-(3-fluorobenzoyl)-N-(3-fluorophenyl)pyrrolidine-2-carboxamide
CID 51605341
1-[(3-fluorophenyl)carbamoyl]piperidine-2-carboxylic acid
CID 54980760
(2S)-2-(phenylcarbamoyl)pyrrolidine-1-carboxylic acid
CID 69195937
(2R)-2-N-cyclopentyl-1-N-(3-fluorophenyl)pyrrolidine-1,2-dicarboxamide
CID 1443076
(2R)-2-N-(2,6-dimethylphenyl)-1-N-(3-fluorophenyl)pyrrolidine-1,2-dicarboxamide
CID 1443151
1-(3-fluorobenzoyl)-N-(3-methylphenyl)pyrrolidine-2-carboxamide
CID 25239363
2-[[7-[(1-carboxypyrrolidine-2-carbonyl)amino]-9-oxofluoren-2-yl]carbamoyl]pyrrolidine-1-carboxylic acid
CID 118691660
(2S)-1-(4-chlorophenyl)sulfonyl-N-(3-fluorophenyl)piperidine-2-carboxamide
CID 92887679
trans-(1S,3S)-1-N,3-N-bis(3-fluorophenyl)cyclohexane-1,3-dicarboxamide
CID 7832111
(2S)-1-(3-fluorobenzoyl)-N-(3-methoxyphenyl)pyrrolidine-2-carboxamide
CID 51606138
1-(4-acetylphenyl)sulfonyl-N-(3-fluorophenyl)piperidine-2-carboxamide
CID 55335097

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)carbamoyl]piperidine-1-carboxylic acid?
The IUPAC name of 2-[(3-fluorophenyl)carbamoyl]piperidine-1-carboxylic acid (CID 175733290) is 2-[(3-fluorophenyl)carbamoyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 2-[(3-fluorophenyl)carbamoyl]piperidine-1-carboxylic acid?
The canonical SMILES for 2-[(3-fluorophenyl)carbamoyl]piperidine-1-carboxylic acid is O=C(Nc1cccc(F)c1)C1CCCCN1C(=O)O.
What is the InChIKey of 2-[(3-fluorophenyl)carbamoyl]piperidine-1-carboxylic acid?
The InChIKey is NRIXMFPATBSKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O3/c14-9-4-3-5-10(8-9)15-12(17)11-6-1-2-7-16(11)13(18)19/h3-5,8,11H,1-2,6-7H2,(H,15,17)(H,18,19).
What are the key properties of 2-[(3-fluorophenyl)carbamoyl]piperidine-1-carboxylic acid?
2-[(3-fluorophenyl)carbamoyl]piperidine-1-carboxylic acid has a molecular weight of 266.27 g/mol, XLogP of 2.30, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)carbamoyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 175733290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).