N-(3-methylpiperidin-4-yl)-3-(trifluoromethyl)benzamide

C14H17F3N2O — CID 79886276

IUPACN-(3-methylpiperidin-4-yl)-3-(trifluoromethyl)benzamide
SMILESCC1CNCCC1NC(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H17F3N2O/c1-9-8-18-6-5-12(9)19-13(20)10-3-2-4-11(7-10)14(15,16)17/h2-4,7,9,12,18H,5-6,8H2,1H3,(H,19,20)
InChIKeyMMVCZAIJNDKFNM-UHFFFAOYSA-N
MW286.30 g/mol
LogP2.43
Rot. Bonds2

About N-(3-methylpiperidin-4-yl)-3-(trifluoromethyl)benzamide

N-(3-methylpiperidin-4-yl)-3-(trifluoromethyl)benzamide (PubChem CID 79886276) has the molecular formula C14H17F3N2O and a molecular weight of 286.30 g/mol. Its IUPAC name is N-(3-methylpiperidin-4-yl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(3-methylpiperidin-4-yl)-3-(trifluoromethyl)benzamide
PubChem CID79886276
Molecular FormulaC14H17F3N2O
Molecular Weight286.30 g/mol
Exact Mass286.13
IUPAC NameN-(3-methylpiperidin-4-yl)-3-(trifluoromethyl)benzamide
SMILESCC1CNCCC1NC(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H17F3N2O/c1-9-8-18-6-5-12(9)19-13(20)10-3-2-4-11(7-10)14(15,16)17/h2-4,7,9,12,18H,5-6,8H2,1H3,(H,19,20)
InChIKeyMMVCZAIJNDKFNM-UHFFFAOYSA-N
XLogP2.43
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 ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-methylpiperidin-4-yl)-4-(trifluoromethyl)benzamide
CID 79886798
N-[(3S,4S)-3-methoxypiperidin-4-yl]-3-(trifluoromethyl)benzamide
CID 54389521
3-N-(3-methylpiperidin-4-yl)benzene-1,3-dicarboxamide;hydrochloride
CID 120555486
N-(3-methylpiperidin-4-yl)-3-[3-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 120557791
N-(2-methylpiperidin-3-yl)-3-(trifluoromethyl)benzamide
CID 79041877
N-(3-methylpiperidin-4-yl)-1-[3-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide
CID 120554712
3-(diethylsulfamoyl)-N-(3-methylpiperidin-4-yl)benzamide
CID 120556196
N-(3-methylpiperidin-4-yl)-2-[3-(trifluoromethyl)phenyl]butanamide;hydrochloride
CID 120554725
N-(3-methylpiperidin-4-yl)-3-(propanoylamino)benzamide
CID 120554475
N-(2-methylpiperidin-4-yl)-3-(trifluoromethyl)benzamide
CID 106995588
3-[(2-fluorophenyl)sulfamoyl]-N-(3-methylpiperidin-4-yl)benzamide
CID 120554339
3-(3-methoxypropoxy)-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120555078

Frequently Asked Questions

What is the IUPAC name of N-(3-methylpiperidin-4-yl)-3-(trifluoromethyl)benzamide?
The IUPAC name of N-(3-methylpiperidin-4-yl)-3-(trifluoromethyl)benzamide (CID 79886276) is N-(3-methylpiperidin-4-yl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(3-methylpiperidin-4-yl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-(3-methylpiperidin-4-yl)-3-(trifluoromethyl)benzamide is CC1CNCCC1NC(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(3-methylpiperidin-4-yl)-3-(trifluoromethyl)benzamide?
The InChIKey is MMVCZAIJNDKFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O/c1-9-8-18-6-5-12(9)19-13(20)10-3-2-4-11(7-10)14(15,16)17/h2-4,7,9,12,18H,5-6,8H2,1H3,(H,19,20).
What are the key properties of N-(3-methylpiperidin-4-yl)-3-(trifluoromethyl)benzamide?
N-(3-methylpiperidin-4-yl)-3-(trifluoromethyl)benzamide has a molecular weight of 286.30 g/mol, XLogP of 2.43, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylpiperidin-4-yl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 79886276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).