(2S)-N-(3,4,5-trifluorophenyl)piperidine-2-carboxamide

C12H13F3N2O — CID 113266184

IUPAC(2S)-N-(3,4,5-trifluorophenyl)piperidine-2-carboxamide
SMILESO=C(Nc1cc(F)c(F)c(F)c1)[C@@H]1CCCCN1
InChIInChI=1S/C12H13F3N2O/c13-8-5-7(6-9(14)11(8)15)17-12(18)10-3-1-2-4-16-10/h5-6,10,16H,1-4H2,(H,17,18)/t10-/m0/s1
InChIKeyKMBKBYWVJUWKIP-JTQLQIEISA-N
MW258.24 g/mol
LogP2.18
Rot. Bonds2

About (2S)-N-(3,4,5-trifluorophenyl)piperidine-2-carboxamide

(2S)-N-(3,4,5-trifluorophenyl)piperidine-2-carboxamide (PubChem CID 113266184) has the molecular formula C12H13F3N2O and a molecular weight of 258.24 g/mol. Its IUPAC name is (2S)-N-(3,4,5-trifluorophenyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(3,4,5-trifluorophenyl)piperidine-2-carboxamide
PubChem CID113266184
Molecular FormulaC12H13F3N2O
Molecular Weight258.24 g/mol
Exact Mass258.10
IUPAC Name(2S)-N-(3,4,5-trifluorophenyl)piperidine-2-carboxamide
SMILESO=C(Nc1cc(F)c(F)c(F)c1)[C@@H]1CCCCN1
InChIInChI=1S/C12H13F3N2O/c13-8-5-7(6-9(14)11(8)15)17-12(18)10-3-1-2-4-16-10/h5-6,10,16H,1-4H2,(H,17,18)/t10-/m0/s1
InChIKeyKMBKBYWVJUWKIP-JTQLQIEISA-N
XLogP2.18
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-(3,4,5-trifluorophenyl)piperidine-2-carboxamide;hydrochloride
CID 119707989
N-(3,4,5-trifluorophenyl)azepane-2-carboxamide
CID 64569548
N-(3,4,5-trifluorophenyl)pyrrolidine-2-carboxamide
CID 55119315
N-(3,5-difluoro-4-iodophenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119312522
N-(3,4-difluorophenyl)pyrrolidine-2-carboxamide
CID 18073046
(2R)-N-(2,3,5,6-tetrafluorophenyl)pyrrolidine-2-carboxamide
CID 107641757
N-(4-fluoro-3-methylphenyl)piperidine-2-carboxamide
CID 62814041
N-(3-bromo-4-fluorophenyl)piperidine-2-carboxamide
CID 115733745
5-[[(2R)-piperidine-2-carbonyl]amino]benzene-1,3-dicarboxamide
CID 104913671
(2R)-N-(3-carbamoyl-4-fluorophenyl)piperidine-2-carboxamide
CID 103808664
N-[4-(difluoromethoxy)-3-fluorophenyl]piperidine-2-carboxamide
CID 60927756
N-(4-chloro-3-fluorophenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119281092

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3,4,5-trifluorophenyl)piperidine-2-carboxamide?
The IUPAC name of (2S)-N-(3,4,5-trifluorophenyl)piperidine-2-carboxamide (CID 113266184) is (2S)-N-(3,4,5-trifluorophenyl)piperidine-2-carboxamide.
What is the SMILES notation for (2S)-N-(3,4,5-trifluorophenyl)piperidine-2-carboxamide?
The canonical SMILES for (2S)-N-(3,4,5-trifluorophenyl)piperidine-2-carboxamide is O=C(Nc1cc(F)c(F)c(F)c1)[C@@H]1CCCCN1.
What is the InChIKey of (2S)-N-(3,4,5-trifluorophenyl)piperidine-2-carboxamide?
The InChIKey is KMBKBYWVJUWKIP-JTQLQIEISA-N. The full InChI is InChI=1S/C12H13F3N2O/c13-8-5-7(6-9(14)11(8)15)17-12(18)10-3-1-2-4-16-10/h5-6,10,16H,1-4H2,(H,17,18)/t10-/m0/s1.
What are the key properties of (2S)-N-(3,4,5-trifluorophenyl)piperidine-2-carboxamide?
(2S)-N-(3,4,5-trifluorophenyl)piperidine-2-carboxamide has a molecular weight of 258.24 g/mol, XLogP of 2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3,4,5-trifluorophenyl)piperidine-2-carboxamide is sourced from PubChem (CID 113266184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).