4-methyl-N-[3-(trifluoromethoxy)phenyl]piperidine-2-carboxamide

C14H17F3N2O2 — CID 114422692

IUPAC4-methyl-N-[3-(trifluoromethoxy)phenyl]piperidine-2-carboxamide
SMILESCC1CCNC(C(=O)Nc2cccc(OC(F)(F)F)c2)C1
InChIInChI=1S/C14H17F3N2O2/c1-9-5-6-18-12(7-9)13(20)19-10-3-2-4-11(8-10)21-14(15,16)17/h2-4,8-9,12,18H,5-7H2,1H3,(H,19,20)
InChIKeyPSWYLEKKLXSESV-UHFFFAOYSA-N
MW302.30 g/mol
LogP2.91
Rot. Bonds3

About 4-methyl-N-[3-(trifluoromethoxy)phenyl]piperidine-2-carboxamide

4-methyl-N-[3-(trifluoromethoxy)phenyl]piperidine-2-carboxamide (PubChem CID 114422692) has the molecular formula C14H17F3N2O2 and a molecular weight of 302.30 g/mol. Its IUPAC name is 4-methyl-N-[3-(trifluoromethoxy)phenyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[3-(trifluoromethoxy)phenyl]piperidine-2-carboxamide
PubChem CID114422692
Molecular FormulaC14H17F3N2O2
Molecular Weight302.30 g/mol
Exact Mass302.12
IUPAC Name4-methyl-N-[3-(trifluoromethoxy)phenyl]piperidine-2-carboxamide
SMILESCC1CCNC(C(=O)Nc2cccc(OC(F)(F)F)c2)C1
InChIInChI=1S/C14H17F3N2O2/c1-9-5-6-18-12(7-9)13(20)19-10-3-2-4-11(8-10)21-14(15,16)17/h2-4,8-9,12,18H,5-7H2,1H3,(H,19,20)
InChIKeyPSWYLEKKLXSESV-UHFFFAOYSA-N
XLogP2.91
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methoxyphenyl)-4-methylpiperidine-2-carboxamide
CID 114422679
4-hydroxy-N-[3-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide
CID 43120856
N-[3-(carbamoylamino)phenyl]-4-methylpiperidine-2-carboxamide
CID 114423130
N-[3-(trifluoromethoxy)phenyl]morpholine-3-carboxamide;hydrochloride
CID 119703130
(2R)-6-oxo-N-[3-(trifluoromethoxy)phenyl]piperazine-2-carboxamide
CID 142479947
(2R,3S)-2-methyl-N-[3-(trifluoromethoxy)phenyl]morpholine-3-carboxamide;hydrochloride
CID 120921232
N-[3-(trifluoromethoxy)phenyl]cyclohexanecarboxamide
CID 52560778
N-(3,4-dimethoxyphenyl)-4-methylpiperidine-2-carboxamide
CID 114422606
4-methyl-N-quinoxalin-6-ylpiperidine-2-carboxamide
CID 114423238
4-amino-N-[3-(trifluoromethoxy)phenyl]cyclohexane-1-carboxamide
CID 60848453
(2S,4S)-N-[3-(difluoromethoxy)phenyl]-2-methylpiperidine-4-carboxamide
CID 120620400
4-methyl-N-[2-(trifluoromethyl)phenyl]piperidine-2-carboxamide
CID 114422580

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[3-(trifluoromethoxy)phenyl]piperidine-2-carboxamide?
The IUPAC name of 4-methyl-N-[3-(trifluoromethoxy)phenyl]piperidine-2-carboxamide (CID 114422692) is 4-methyl-N-[3-(trifluoromethoxy)phenyl]piperidine-2-carboxamide.
What is the SMILES notation for 4-methyl-N-[3-(trifluoromethoxy)phenyl]piperidine-2-carboxamide?
The canonical SMILES for 4-methyl-N-[3-(trifluoromethoxy)phenyl]piperidine-2-carboxamide is CC1CCNC(C(=O)Nc2cccc(OC(F)(F)F)c2)C1.
What is the InChIKey of 4-methyl-N-[3-(trifluoromethoxy)phenyl]piperidine-2-carboxamide?
The InChIKey is PSWYLEKKLXSESV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O2/c1-9-5-6-18-12(7-9)13(20)19-10-3-2-4-11(8-10)21-14(15,16)17/h2-4,8-9,12,18H,5-7H2,1H3,(H,19,20).
What are the key properties of 4-methyl-N-[3-(trifluoromethoxy)phenyl]piperidine-2-carboxamide?
4-methyl-N-[3-(trifluoromethoxy)phenyl]piperidine-2-carboxamide has a molecular weight of 302.30 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[3-(trifluoromethoxy)phenyl]piperidine-2-carboxamide is sourced from PubChem (CID 114422692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).