(2S)-N-[3-(trifluoromethyl)phenyl]piperidine-2-carboxamide;hydrochloride

C13H16ClF3N2O — CID 119671263

IUPAC(2S)-N-[3-(trifluoromethyl)phenyl]piperidine-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1CCCCN1
InChIInChI=1S/C13H15F3N2O.ClH/c14-13(15,16)9-4-3-5-10(8-9)18-12(19)11-6-1-2-7-17-11;/h3-5,8,11,17H,1-2,6-7H2,(H,18,19);1H/t11-;/m0./s1
InChIKeyAUPQKLZEESINPX-MERQFXBCSA-N
MW308.73 g/mol
LogP3.21
Rot. Bonds2

About (2S)-N-[3-(trifluoromethyl)phenyl]piperidine-2-carboxamide;hydrochloride

(2S)-N-[3-(trifluoromethyl)phenyl]piperidine-2-carboxamide;hydrochloride (PubChem CID 119671263) has the molecular formula C13H16ClF3N2O and a molecular weight of 308.73 g/mol. Its IUPAC name is (2S)-N-[3-(trifluoromethyl)phenyl]piperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S)-N-[3-(trifluoromethyl)phenyl]piperidine-2-carboxamide;hydrochloride
PubChem CID119671263
Molecular FormulaC13H16ClF3N2O
Molecular Weight308.73 g/mol
Exact Mass308.09
IUPAC Name(2S)-N-[3-(trifluoromethyl)phenyl]piperidine-2-carboxamide;hydrochloride
SMILESCl.O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1CCCCN1
InChIInChI=1S/C13H15F3N2O.ClH/c14-13(15,16)9-4-3-5-10(8-9)18-12(19)11-6-1-2-7-17-11;/h3-5,8,11,17H,1-2,6-7H2,(H,18,19);1H/t11-;/m0./s1
InChIKeyAUPQKLZEESINPX-MERQFXBCSA-N
XLogP3.21
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.73
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrrolidine-2-carboxamide
CID 119301878
3-[[(2R)-piperidine-2-carbonyl]amino]benzoic acid
CID 104913517
(2R)-N-(3-chlorophenyl)piperidine-2-carboxamide;hydrochloride
CID 119671014
N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119262127
(2S)-N-phenylpiperidine-2-carboxamide;hydrochloride
CID 68574355
(2S)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxamide;hydrochloride
CID 119679731
3-(azepane-2-carbonylamino)benzoic acid
CID 64563826
N-(3-bromophenyl)piperidine-2-carboxamide
CID 18073202
(3S)-N-[3-(trifluoromethyl)phenyl]morpholine-3-carboxamide
CID 129372263
N-[4-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 11701623
N-[3-(trifluoromethyl)phenyl]cyclohexanecarboxamide
CID 874898
N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]piperidine-2-carboxamide;hydrochloride
CID 119316485

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-(trifluoromethyl)phenyl]piperidine-2-carboxamide;hydrochloride?
The IUPAC name of (2S)-N-[3-(trifluoromethyl)phenyl]piperidine-2-carboxamide;hydrochloride (CID 119671263) is (2S)-N-[3-(trifluoromethyl)phenyl]piperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S)-N-[3-(trifluoromethyl)phenyl]piperidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2S)-N-[3-(trifluoromethyl)phenyl]piperidine-2-carboxamide;hydrochloride is Cl.O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1CCCCN1.
What is the InChIKey of (2S)-N-[3-(trifluoromethyl)phenyl]piperidine-2-carboxamide;hydrochloride?
The InChIKey is AUPQKLZEESINPX-MERQFXBCSA-N. The full InChI is InChI=1S/C13H15F3N2O.ClH/c14-13(15,16)9-4-3-5-10(8-9)18-12(19)11-6-1-2-7-17-11;/h3-5,8,11,17H,1-2,6-7H2,(H,18,19);1H/t11-;/m0./s1.
What are the key properties of (2S)-N-[3-(trifluoromethyl)phenyl]piperidine-2-carboxamide;hydrochloride?
(2S)-N-[3-(trifluoromethyl)phenyl]piperidine-2-carboxamide;hydrochloride has a molecular weight of 308.73 g/mol, XLogP of 3.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-(trifluoromethyl)phenyl]piperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119671263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).