(2R)-N-(3,4,5-trifluorophenyl)piperidine-2-carboxamide;hydrochloride

C12H14ClF3N2O — CID 119707989

IUPAC(2R)-N-(3,4,5-trifluorophenyl)piperidine-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1cc(F)c(F)c(F)c1)[C@H]1CCCCN1
InChIInChI=1S/C12H13F3N2O.ClH/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);1H/t10-;/m1./s1
InChIKeyQRQJQMPLYNWARX-HNCPQSOCSA-N
MW294.70 g/mol
LogP2.61
Rot. Bonds2

About (2R)-N-(3,4,5-trifluorophenyl)piperidine-2-carboxamide;hydrochloride

(2R)-N-(3,4,5-trifluorophenyl)piperidine-2-carboxamide;hydrochloride (PubChem CID 119707989) has the molecular formula C12H14ClF3N2O and a molecular weight of 294.70 g/mol. Its IUPAC name is (2R)-N-(3,4,5-trifluorophenyl)piperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2R)-N-(3,4,5-trifluorophenyl)piperidine-2-carboxamide;hydrochloride
PubChem CID119707989
Molecular FormulaC12H14ClF3N2O
Molecular Weight294.70 g/mol
Exact Mass294.07
IUPAC Name(2R)-N-(3,4,5-trifluorophenyl)piperidine-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1cc(F)c(F)c(F)c1)[C@H]1CCCCN1
InChIInChI=1S/C12H13F3N2O.ClH/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);1H/t10-;/m1./s1
InChIKeyQRQJQMPLYNWARX-HNCPQSOCSA-N
XLogP2.61
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.70
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2R)-N-(3,4,5-trifluorophenyl)piperidine-2-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-(3,4,5-trifluorophenyl)piperidine-2-carboxamide
CID 113266184
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-chloro-3-fluorophenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119281092
N-(4-fluoro-3-methylphenyl)piperidine-2-carboxamide
CID 62814041
N-(3-bromo-4-fluorophenyl)piperidine-2-carboxamide
CID 115733745
(2S)-N-phenylpiperidine-2-carboxamide;hydrochloride
CID 68574355
(2S)-N-(3,5-dimethylphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 67505940
5-[[(2R)-piperidine-2-carbonyl]amino]benzene-1,3-dicarboxamide
CID 104913671

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3,4,5-trifluorophenyl)piperidine-2-carboxamide;hydrochloride?
The IUPAC name of (2R)-N-(3,4,5-trifluorophenyl)piperidine-2-carboxamide;hydrochloride (CID 119707989) is (2R)-N-(3,4,5-trifluorophenyl)piperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2R)-N-(3,4,5-trifluorophenyl)piperidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2R)-N-(3,4,5-trifluorophenyl)piperidine-2-carboxamide;hydrochloride is Cl.O=C(Nc1cc(F)c(F)c(F)c1)[C@H]1CCCCN1.
What is the InChIKey of (2R)-N-(3,4,5-trifluorophenyl)piperidine-2-carboxamide;hydrochloride?
The InChIKey is QRQJQMPLYNWARX-HNCPQSOCSA-N. The full InChI is InChI=1S/C12H13F3N2O.ClH/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);1H/t10-;/m1./s1.
What are the key properties of (2R)-N-(3,4,5-trifluorophenyl)piperidine-2-carboxamide;hydrochloride?
(2R)-N-(3,4,5-trifluorophenyl)piperidine-2-carboxamide;hydrochloride has a molecular weight of 294.70 g/mol, XLogP of 2.61, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3,4,5-trifluorophenyl)piperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119707989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).