(3S)-N-(5-chloro-2-fluorophenyl)piperidine-3-carboxamide

C12H14ClFN2O — CID 81124041

IUPAC(3S)-N-(5-chloro-2-fluorophenyl)piperidine-3-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1F)[C@H]1CCCNC1
InChIInChI=1S/C12H14ClFN2O/c13-9-3-4-10(14)11(6-9)16-12(17)8-2-1-5-15-7-8/h3-4,6,8,15H,1-2,5,7H2,(H,16,17)/t8-/m0/s1
InChIKeyRPPWBUUDEWQBLO-QMMMGPOBSA-N
MW256.71 g/mol
LogP2.42
Rot. Bonds2

About (3S)-N-(5-chloro-2-fluorophenyl)piperidine-3-carboxamide

(3S)-N-(5-chloro-2-fluorophenyl)piperidine-3-carboxamide (PubChem CID 81124041) has the molecular formula C12H14ClFN2O and a molecular weight of 256.71 g/mol. Its IUPAC name is (3S)-N-(5-chloro-2-fluorophenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(5-chloro-2-fluorophenyl)piperidine-3-carboxamide
PubChem CID81124041
Molecular FormulaC12H14ClFN2O
Molecular Weight256.71 g/mol
Exact Mass256.08
IUPAC Name(3S)-N-(5-chloro-2-fluorophenyl)piperidine-3-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1F)[C@H]1CCCNC1
InChIInChI=1S/C12H14ClFN2O/c13-9-3-4-10(14)11(6-9)16-12(17)8-2-1-5-15-7-8/h3-4,6,8,15H,1-2,5,7H2,(H,16,17)/t8-/m0/s1
InChIKeyRPPWBUUDEWQBLO-QMMMGPOBSA-N
XLogP2.42
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.71
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-chloro-2-fluorophenyl)pyrrolidine-3-carboxamide
CID 63007340
N-(2-fluoro-5-methylphenyl)piperidine-3-carboxamide;hydrochloride
CID 119264146
N-(2-bromo-4-chlorophenyl)piperidine-3-carboxamide
CID 81263705
(3R)-N-(2-chloro-4-fluorophenyl)piperidine-3-carboxamide
CID 29080451
(3R)-N-(5-chloro-2-pyrazol-1-ylphenyl)piperidine-3-carboxamide
CID 81119455
(3S)-N-(2,4,5-trichlorophenyl)piperidine-3-carboxamide
CID 29294269
(3S)-N-(2,3,5-trifluorophenyl)piperidine-3-carboxamide
CID 81139845
N-(2-fluoro-4-methylphenyl)piperidine-3-carboxamide;hydrochloride
CID 119263786
(3R)-N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]piperidine-3-carboxamide
CID 81119792
(3R)-N-(2-fluorophenyl)pyrrolidine-3-carboxamide
CID 94915553
N-(2,4,5-trifluorophenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119708623
N-(5-fluoro-2,4-dimethoxyphenyl)piperidine-3-carboxamide
CID 119336082

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(5-chloro-2-fluorophenyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-(5-chloro-2-fluorophenyl)piperidine-3-carboxamide (CID 81124041) is (3S)-N-(5-chloro-2-fluorophenyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(5-chloro-2-fluorophenyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-(5-chloro-2-fluorophenyl)piperidine-3-carboxamide is O=C(Nc1cc(Cl)ccc1F)[C@H]1CCCNC1.
What is the InChIKey of (3S)-N-(5-chloro-2-fluorophenyl)piperidine-3-carboxamide?
The InChIKey is RPPWBUUDEWQBLO-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H14ClFN2O/c13-9-3-4-10(14)11(6-9)16-12(17)8-2-1-5-15-7-8/h3-4,6,8,15H,1-2,5,7H2,(H,16,17)/t8-/m0/s1.
What are the key properties of (3S)-N-(5-chloro-2-fluorophenyl)piperidine-3-carboxamide?
(3S)-N-(5-chloro-2-fluorophenyl)piperidine-3-carboxamide has a molecular weight of 256.71 g/mol, XLogP of 2.42, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(5-chloro-2-fluorophenyl)piperidine-3-carboxamide is sourced from PubChem (CID 81124041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).