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

C14H17F3N2O — CID 63132643

IUPAC3-methyl-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide
SMILESCC1(C(=O)Nc2ccccc2C(F)(F)F)CCCNC1
InChIInChI=1S/C14H17F3N2O/c1-13(7-4-8-18-9-13)12(20)19-11-6-3-2-5-10(11)14(15,16)17/h2-3,5-6,18H,4,7-9H2,1H3,(H,19,20)
InChIKeyZHCXHXXHNQRKPY-UHFFFAOYSA-N
MW286.30 g/mol
LogP3.03
Rot. Bonds2

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

3-methyl-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide (PubChem CID 63132643) has the molecular formula C14H17F3N2O and a molecular weight of 286.30 g/mol. Its IUPAC name is 3-methyl-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide
PubChem CID63132643
Molecular FormulaC14H17F3N2O
Molecular Weight286.30 g/mol
Exact Mass286.13
IUPAC Name3-methyl-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide
SMILESCC1(C(=O)Nc2ccccc2C(F)(F)F)CCCNC1
InChIInChI=1S/C14H17F3N2O/c1-13(7-4-8-18-9-13)12(20)19-11-6-3-2-5-10(11)14(15,16)17/h2-3,5-6,18H,4,7-9H2,1H3,(H,19,20)
InChIKeyZHCXHXXHNQRKPY-UHFFFAOYSA-N
XLogP3.03
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide;hydrochloride
CID 119944209
3-methyl-N-(2-propylphenyl)piperidine-3-carboxamide
CID 63130513
N-[2-(2-methoxyethyl)phenyl]-3-methylpiperidine-3-carboxamide
CID 102905773
N-[2-(difluoromethoxy)phenyl]-3-methylpiperidine-3-carboxamide
CID 63130045
3-methyl-N-(2-methyl-3-pyridinyl)piperidine-3-carboxamide
CID 79043969
3-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-3-carboxamide;hydrochloride
CID 119943653
2-[2-[(3-methylpiperidine-3-carbonyl)amino]phenoxy]acetic acid
CID 63746531
N-(2-methoxy-3-pyridinyl)-3-methylpiperidine-3-carboxamide
CID 63130698
3-methyl-N-(2-methylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119670460
N-(2-bromophenyl)-3-methylpyrrolidine-3-carboxamide
CID 63141111
1-amino-N-[2-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide
CID 81167254
N-[(2-fluorophenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 55176835

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
The IUPAC name of 3-methyl-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide (CID 63132643) is 3-methyl-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 3-methyl-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for 3-methyl-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide is CC1(C(=O)Nc2ccccc2C(F)(F)F)CCCNC1.
What is the InChIKey of 3-methyl-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
The InChIKey is ZHCXHXXHNQRKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O/c1-13(7-4-8-18-9-13)12(20)19-11-6-3-2-5-10(11)14(15,16)17/h2-3,5-6,18H,4,7-9H2,1H3,(H,19,20).
What are the key properties of 3-methyl-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
3-methyl-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide has a molecular weight of 286.30 g/mol, XLogP of 3.03, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 63132643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).