N-(2-methylpiperidin-3-yl)-3-(trifluoromethyl)benzamide

C14H17F3N2O — CID 79041877

IUPACN-(2-methylpiperidin-3-yl)-3-(trifluoromethyl)benzamide
SMILESCC1NCCCC1NC(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H17F3N2O/c1-9-12(6-3-7-18-9)19-13(20)10-4-2-5-11(8-10)14(15,16)17/h2,4-5,8-9,12,18H,3,6-7H2,1H3,(H,19,20)
InChIKeyVDIVDIXATJOBTA-UHFFFAOYSA-N
MW286.30 g/mol
LogP2.58
Rot. Bonds2

About N-(2-methylpiperidin-3-yl)-3-(trifluoromethyl)benzamide

N-(2-methylpiperidin-3-yl)-3-(trifluoromethyl)benzamide (PubChem CID 79041877) has the molecular formula C14H17F3N2O and a molecular weight of 286.30 g/mol. Its IUPAC name is N-(2-methylpiperidin-3-yl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(2-methylpiperidin-3-yl)-3-(trifluoromethyl)benzamide
PubChem CID79041877
Molecular FormulaC14H17F3N2O
Molecular Weight286.30 g/mol
Exact Mass286.13
IUPAC NameN-(2-methylpiperidin-3-yl)-3-(trifluoromethyl)benzamide
SMILESCC1NCCCC1NC(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H17F3N2O/c1-9-12(6-3-7-18-9)19-13(20)10-4-2-5-11(8-10)14(15,16)17/h2,4-5,8-9,12,18H,3,6-7H2,1H3,(H,19,20)
InChIKeyVDIVDIXATJOBTA-UHFFFAOYSA-N
XLogP2.58
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 ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-[(2S,3S)-2-methylpiperidin-3-yl]benzamide
CID 124515685
N-[(2R,3R)-2-methylpiperidin-3-yl]benzamide
CID 124511336
N-(3-methylpiperidin-4-yl)-3-(trifluoromethyl)benzamide
CID 79886276
N-(2-methylpiperidin-4-yl)-3-(trifluoromethyl)benzamide
CID 106995588
N-(2-methylpiperidin-3-yl)-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide;hydrochloride
CID 120573393
3-[(dimethylamino)methyl]-N-(2-methylpiperidin-3-yl)benzamide
CID 120575680
N-[2-(hydroxymethyl)cyclopentyl]-3-(trifluoromethyl)benzamide
CID 103751525
3-(cyclopropylcarbamoylamino)-N-(2-methylpiperidin-3-yl)benzamide
CID 120574123
N-(2-methylpiperidin-3-yl)-3-(methylsulfinylmethyl)benzamide;hydrochloride
CID 120576039
3-(cyclohexanecarbonylamino)-N-(2-methylpiperidin-3-yl)benzamide
CID 120574822
4-bromo-3-fluoro-N-(2-methylpiperidin-3-yl)benzamide
CID 114695015
3-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(2-methylpiperidin-3-yl)benzamide
CID 120577985

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpiperidin-3-yl)-3-(trifluoromethyl)benzamide?
The IUPAC name of N-(2-methylpiperidin-3-yl)-3-(trifluoromethyl)benzamide (CID 79041877) is N-(2-methylpiperidin-3-yl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(2-methylpiperidin-3-yl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-(2-methylpiperidin-3-yl)-3-(trifluoromethyl)benzamide is CC1NCCCC1NC(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(2-methylpiperidin-3-yl)-3-(trifluoromethyl)benzamide?
The InChIKey is VDIVDIXATJOBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O/c1-9-12(6-3-7-18-9)19-13(20)10-4-2-5-11(8-10)14(15,16)17/h2,4-5,8-9,12,18H,3,6-7H2,1H3,(H,19,20).
What are the key properties of N-(2-methylpiperidin-3-yl)-3-(trifluoromethyl)benzamide?
N-(2-methylpiperidin-3-yl)-3-(trifluoromethyl)benzamide has a molecular weight of 286.30 g/mol, XLogP of 2.58, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpiperidin-3-yl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 79041877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).