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

C13H15FN2O3 — CID 28512627

IUPAC(3R)-1-[(2-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(C(=O)Nc2ccccc2F)C1
InChIInChI=1S/C13H15FN2O3/c14-10-5-1-2-6-11(10)15-13(19)16-7-3-4-9(8-16)12(17)18/h1-2,5-6,9H,3-4,7-8H2,(H,15,19)(H,17,18)/t9-/m1/s1
InChIKeyKPDQYWXXBXYFHQ-SECBINFHSA-N
MW266.27 g/mol
LogP2.15
Rot. Bonds2

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

(3R)-1-[(2-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid (PubChem CID 28512627) has the molecular formula C13H15FN2O3 and a molecular weight of 266.27 g/mol. Its IUPAC name is (3R)-1-[(2-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[(2-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid
PubChem CID28512627
Molecular FormulaC13H15FN2O3
Molecular Weight266.27 g/mol
Exact Mass266.11
IUPAC Name(3R)-1-[(2-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(C(=O)Nc2ccccc2F)C1
InChIInChI=1S/C13H15FN2O3/c14-10-5-1-2-6-11(10)15-13(19)16-7-3-4-9(8-16)12(17)18/h1-2,5-6,9H,3-4,7-8H2,(H,15,19)(H,17,18)/t9-/m1/s1
InChIKeyKPDQYWXXBXYFHQ-SECBINFHSA-N
XLogP2.15
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 ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-fluorophenyl)-3-(N'-hydroxycarbamimidoyl)piperidine-1-carboxamide
CID 77041701
(3R)-N-(2-fluorophenyl)-3-methylpiperidine-1-carboxamide
CID 41097666
(2R,3R)-1-[1-[(2-fluorophenyl)carbamoyl]piperidine-3-carbonyl]-2-methylpiperidine-3-carboxylic acid
CID 122115369
3-N-(2-aminophenyl)-1-N-(2-fluorophenyl)piperidine-1,3-dicarboxamide;hydrochloride
CID 119422157
3-[[1-[(2-fluorophenyl)carbamoyl]piperidine-3-carbonyl]amino]propanoic acid
CID 119350889
(3R)-1-[(2,4,5-trifluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81121037
(3S)-1-[(2-ethylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 28512559
1-[(2-ethylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 43318533
(3R)-3-[4-(2-chlorophenyl)piperazine-1-carbonyl]-N-(2-fluorophenyl)piperidine-1-carboxamide
CID 51950903
4-[[[1-[(2-fluorophenyl)carbamoyl]piperidine-3-carbonyl]amino]methyl]benzoic acid
CID 119353294
1-[(2-bromo-6-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 107601918
(3R)-1-[(2-fluoro-5-methoxyphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81120687

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(2-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[(2-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid (CID 28512627) is (3R)-1-[(2-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[(2-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[(2-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid is O=C(O)[C@@H]1CCCN(C(=O)Nc2ccccc2F)C1.
What is the InChIKey of (3R)-1-[(2-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is KPDQYWXXBXYFHQ-SECBINFHSA-N. The full InChI is InChI=1S/C13H15FN2O3/c14-10-5-1-2-6-11(10)15-13(19)16-7-3-4-9(8-16)12(17)18/h1-2,5-6,9H,3-4,7-8H2,(H,15,19)(H,17,18)/t9-/m1/s1.
What are the key properties of (3R)-1-[(2-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid?
(3R)-1-[(2-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 266.27 g/mol, XLogP of 2.15, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(2-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 28512627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).