N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-2-carboxamide

C14H17F3N2O2 — CID 61254583

IUPACN-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-2-carboxamide
SMILESO=C(NCc1ccccc1OC(F)(F)F)C1CCCCN1
InChIInChI=1S/C14H17F3N2O2/c15-14(16,17)21-12-7-2-1-5-10(12)9-19-13(20)11-6-3-4-8-18-11/h1-2,5,7,11,18H,3-4,6,8-9H2,(H,19,20)
InChIKeyGWRQAXTXOBZOML-UHFFFAOYSA-N
MW302.30 g/mol
LogP2.34
Rot. Bonds4

About N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-2-carboxamide

N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-2-carboxamide (PubChem CID 61254583) has the molecular formula C14H17F3N2O2 and a molecular weight of 302.30 g/mol. Its IUPAC name is N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-2-carboxamide
PubChem CID61254583
Molecular FormulaC14H17F3N2O2
Molecular Weight302.30 g/mol
Exact Mass302.12
IUPAC NameN-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-2-carboxamide
SMILESO=C(NCc1ccccc1OC(F)(F)F)C1CCCCN1
InChIInChI=1S/C14H17F3N2O2/c15-14(16,17)21-12-7-2-1-5-10(12)9-19-13(20)11-6-3-4-8-18-11/h1-2,5,7,11,18H,3-4,6,8-9H2,(H,19,20)
InChIKeyGWRQAXTXOBZOML-UHFFFAOYSA-N
XLogP2.34
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
CID 61253216
N-[[2-(trifluoromethoxy)phenyl]methyl]-1,3-thiazolidine-4-carboxamide
CID 61254584
N-[[2-(trifluoromethoxy)phenyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119275604
(2S)-N-[[2-(difluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
CID 61252076
(2S)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxamide;hydrochloride
CID 119705503
N-[[2-(trifluoromethoxy)phenyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119275603
N-[2-(trifluoromethoxy)phenyl]azepane-2-carboxamide
CID 64563962
N-[[2-(hydroxymethyl)phenyl]methyl]piperidine-2-carboxamide
CID 126781786
N-[[2-(trifluoromethoxy)phenyl]methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 119275613
N-[(2-propan-2-yloxyphenyl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119280684
N-[2-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide
CID 18072094
(2S)-N-[[2-(methoxymethyl)phenyl]methyl]piperidine-2-carboxamide
CID 93359111

Frequently Asked Questions

What is the IUPAC name of N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-2-carboxamide?
The IUPAC name of N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-2-carboxamide (CID 61254583) is N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-2-carboxamide.
What is the SMILES notation for N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-2-carboxamide?
The canonical SMILES for N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-2-carboxamide is O=C(NCc1ccccc1OC(F)(F)F)C1CCCCN1.
What is the InChIKey of N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-2-carboxamide?
The InChIKey is GWRQAXTXOBZOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O2/c15-14(16,17)21-12-7-2-1-5-10(12)9-19-13(20)11-6-3-4-8-18-11/h1-2,5,7,11,18H,3-4,6,8-9H2,(H,19,20).
What are the key properties of N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-2-carboxamide?
N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-2-carboxamide has a molecular weight of 302.30 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-2-carboxamide is sourced from PubChem (CID 61254583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).