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

C14H18ClF3N2O — CID 119705503

IUPAC(2S)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCc1ccccc1C(F)(F)F)[C@@H]1CCCCN1
InChIInChI=1S/C14H17F3N2O.ClH/c15-14(16,17)11-6-2-1-5-10(11)9-19-13(20)12-7-3-4-8-18-12;/h1-2,5-6,12,18H,3-4,7-9H2,(H,19,20);1H/t12-;/m0./s1
InChIKeyYVEOGNNNHHMTMK-YDALLXLXSA-N
MW322.76 g/mol
LogP2.89
Rot. Bonds3

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

(2S)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxamide;hydrochloride (PubChem CID 119705503) has the molecular formula C14H18ClF3N2O and a molecular weight of 322.76 g/mol. Its IUPAC name is (2S)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxamide;hydrochloride
PubChem CID119705503
Molecular FormulaC14H18ClF3N2O
Molecular Weight322.76 g/mol
Exact Mass322.11
IUPAC Name(2S)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCc1ccccc1C(F)(F)F)[C@@H]1CCCCN1
InChIInChI=1S/C14H17F3N2O.ClH/c15-14(16,17)11-6-2-1-5-10(11)9-19-13(20)12-7-3-4-8-18-12;/h1-2,5-6,12,18H,3-4,7-9H2,(H,19,20);1H/t12-;/m0./s1
InChIKeyYVEOGNNNHHMTMK-YDALLXLXSA-N
XLogP2.89
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.76
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(trifluoromethyl)phenyl]methyl]piperazine-2-carboxamide
CID 63102198
N-[[2-(hydroxymethyl)phenyl]methyl]piperidine-2-carboxamide
CID 126781786
(2S)-N-[(2-methylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119688344
N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-2-carboxamide
CID 61254583
N-benzylpiperidine-2-carboxamide;hydrochloride
CID 53410820
(2S)-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
CID 61253216
N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide;hydrochloride
CID 119279719
(2R)-N-(naphthalen-1-ylmethyl)piperidine-2-carboxamide
CID 103808745
(2S)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxamide;hydrochloride
CID 119679731
N-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119315072
(2S)-N-[(2-bromophenyl)methyl]pyrrolidine-2-carboxamide
CID 61402429
(2S)-N-[(2-pyrazol-1-ylphenyl)methyl]piperidine-2-carboxamide;hydrochloride
CID 119739823

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxamide;hydrochloride?
The IUPAC name of (2S)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxamide;hydrochloride (CID 119705503) is (2S)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2S)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxamide;hydrochloride is Cl.O=C(NCc1ccccc1C(F)(F)F)[C@@H]1CCCCN1.
What is the InChIKey of (2S)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxamide;hydrochloride?
The InChIKey is YVEOGNNNHHMTMK-YDALLXLXSA-N. The full InChI is InChI=1S/C14H17F3N2O.ClH/c15-14(16,17)11-6-2-1-5-10(11)9-19-13(20)12-7-3-4-8-18-12;/h1-2,5-6,12,18H,3-4,7-9H2,(H,19,20);1H/t12-;/m0./s1.
What are the key properties of (2S)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxamide;hydrochloride?
(2S)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxamide;hydrochloride has a molecular weight of 322.76 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119705503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).