(3R)-N-(2-chloro-4-fluorophenyl)piperidine-3-carboxamide

C12H14ClFN2O — CID 29080451

IUPAC(3R)-N-(2-chloro-4-fluorophenyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1Cl)[C@@H]1CCCNC1
InChIInChI=1S/C12H14ClFN2O/c13-10-6-9(14)3-4-11(10)16-12(17)8-2-1-5-15-7-8/h3-4,6,8,15H,1-2,5,7H2,(H,16,17)/t8-/m1/s1
InChIKeyLQYBVGGJWOQVJT-MRVPVSSYSA-N
MW256.71 g/mol
LogP2.42
Rot. Bonds2

About (3R)-N-(2-chloro-4-fluorophenyl)piperidine-3-carboxamide

(3R)-N-(2-chloro-4-fluorophenyl)piperidine-3-carboxamide (PubChem CID 29080451) has the molecular formula C12H14ClFN2O and a molecular weight of 256.71 g/mol. Its IUPAC name is (3R)-N-(2-chloro-4-fluorophenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(2-chloro-4-fluorophenyl)piperidine-3-carboxamide
PubChem CID29080451
Molecular FormulaC12H14ClFN2O
Molecular Weight256.71 g/mol
Exact Mass256.08
IUPAC Name(3R)-N-(2-chloro-4-fluorophenyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1Cl)[C@@H]1CCCNC1
InChIInChI=1S/C12H14ClFN2O/c13-10-6-9(14)3-4-11(10)16-12(17)8-2-1-5-15-7-8/h3-4,6,8,15H,1-2,5,7H2,(H,16,17)/t8-/m1/s1
InChIKeyLQYBVGGJWOQVJT-MRVPVSSYSA-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-(4-bromo-2-chlorophenyl)piperidine-3-carboxamide
CID 43347399
N-[4-fluoro-2-(4-fluorophenyl)phenyl]piperidine-3-carboxamide
CID 119316632
N-(2-chloro-4-methylphenyl)piperidine-3-carboxamide;hydrochloride
CID 119262654
(3R)-N-(2-chloro-4-cyanophenyl)piperidine-3-carboxamide
CID 107807941
(3S)-N-(2,4,5-trichlorophenyl)piperidine-3-carboxamide
CID 29294269
(3S)-N-(5-chloro-2-fluorophenyl)piperidine-3-carboxamide
CID 81124041
N-(2-chloro-4-fluorophenyl)-2-piperidin-3-ylacetamide
CID 62676653
(3R)-N-(2-ethoxy-4-fluorophenyl)piperidine-3-carboxamide
CID 81124349
N-[2-(cyclopropylmethoxy)-4-fluorophenyl]piperidine-3-carboxamide;hydrochloride
CID 119333297
N-[4-fluoro-2-(piperidine-3-carbonylamino)phenyl]pyridine-2-carboxamide
CID 119844811
N-[4-fluoro-2-(2,2,2-trifluoroethoxy)phenyl]piperidine-3-carboxamide;hydrochloride
CID 119324692
N-(2-bromo-4-chlorophenyl)piperidine-3-carboxamide
CID 81263705

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2-chloro-4-fluorophenyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-(2-chloro-4-fluorophenyl)piperidine-3-carboxamide (CID 29080451) is (3R)-N-(2-chloro-4-fluorophenyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(2-chloro-4-fluorophenyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(2-chloro-4-fluorophenyl)piperidine-3-carboxamide is O=C(Nc1ccc(F)cc1Cl)[C@@H]1CCCNC1.
What is the InChIKey of (3R)-N-(2-chloro-4-fluorophenyl)piperidine-3-carboxamide?
The InChIKey is LQYBVGGJWOQVJT-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H14ClFN2O/c13-10-6-9(14)3-4-11(10)16-12(17)8-2-1-5-15-7-8/h3-4,6,8,15H,1-2,5,7H2,(H,16,17)/t8-/m1/s1.
What are the key properties of (3R)-N-(2-chloro-4-fluorophenyl)piperidine-3-carboxamide?
(3R)-N-(2-chloro-4-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 (3R)-N-(2-chloro-4-fluorophenyl)piperidine-3-carboxamide is sourced from PubChem (CID 29080451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).