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

C14H18ClF3N2O — CID 119279719

IUPACN-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide;hydrochloride
SMILESCl.O=C(NCc1ccccc1C(F)(F)F)C1CCCNC1
InChIInChI=1S/C14H17F3N2O.ClH/c15-14(16,17)12-6-2-1-4-10(12)9-19-13(20)11-5-3-7-18-8-11;/h1-2,4,6,11,18H,3,5,7-9H2,(H,19,20);1H
InChIKeyYIVUNKKYCWOZEF-UHFFFAOYSA-N
MW322.76 g/mol
LogP2.74
Rot. Bonds3

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

N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide;hydrochloride (PubChem CID 119279719) has the molecular formula C14H18ClF3N2O and a molecular weight of 322.76 g/mol. Its IUPAC name is N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide;hydrochloride
PubChem CID119279719
Molecular FormulaC14H18ClF3N2O
Molecular Weight322.76 g/mol
Exact Mass322.11
IUPAC NameN-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide;hydrochloride
SMILESCl.O=C(NCc1ccccc1C(F)(F)F)C1CCCNC1
InChIInChI=1S/C14H17F3N2O.ClH/c15-14(16,17)12-6-2-1-4-10(12)9-19-13(20)11-5-3-7-18-8-11;/h1-2,4,6,11,18H,3,5,7-9H2,(H,19,20);1H
InChIKeyYIVUNKKYCWOZEF-UHFFFAOYSA-N
XLogP2.74
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 ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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(3S)-N-[(2-bromophenyl)methyl]piperidine-3-carboxamide
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3-amino-N-[[2-(trifluoromethyl)phenyl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119705497
(2S)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxamide;hydrochloride
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N-[[2-(trifluoromethyl)phenyl]methyl]piperazine-2-carboxamide
CID 63102198
N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]piperidine-3-carboxamide
CID 119847102
N-[(2,3-dimethylphenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 66770651
N-piperidin-3-yl-2-[2-(trifluoromethyl)phenyl]acetamide
CID 119426295
(3R)-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 81141127
N-[(2-fluorophenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119679710
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CID 119705493

Frequently Asked Questions

What is the IUPAC name of N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide;hydrochloride (CID 119279719) is N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide;hydrochloride is Cl.O=C(NCc1ccccc1C(F)(F)F)C1CCCNC1.
What is the InChIKey of N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide;hydrochloride?
The InChIKey is YIVUNKKYCWOZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O.ClH/c15-14(16,17)12-6-2-1-4-10(12)9-19-13(20)11-5-3-7-18-8-11;/h1-2,4,6,11,18H,3,5,7-9H2,(H,19,20);1H.
What are the key properties of N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide;hydrochloride?
N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 322.76 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119279719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).