3-methyl-N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]benzamide

C21H21F3N2O2 — CID 108555379

IUPAC3-methyl-N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]benzamide
SMILESCc1cccc(C(=O)NC2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)c1
InChIInChI=1S/C21H21F3N2O2/c1-14-5-4-6-15(13-14)19(27)25-16-9-11-26(12-10-16)20(28)17-7-2-3-8-18(17)21(22,23)24/h2-8,13,16H,9-12H2,1H3,(H,25,27)
InChIKeyDODBTVMCZZTILY-UHFFFAOYSA-N
MW390.41 g/mol
LogP4.05
Rot. Bonds3

About 3-methyl-N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]benzamide

3-methyl-N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]benzamide (PubChem CID 108555379) has the molecular formula C21H21F3N2O2 and a molecular weight of 390.41 g/mol. Its IUPAC name is 3-methyl-N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]benzamide
PubChem CID108555379
Molecular FormulaC21H21F3N2O2
Molecular Weight390.41 g/mol
Exact Mass390.16
IUPAC Name3-methyl-N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]benzamide
SMILESCc1cccc(C(=O)NC2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)c1
InChIInChI=1S/C21H21F3N2O2/c1-14-5-4-6-15(13-14)19(27)25-16-9-11-26(12-10-16)20(28)17-7-2-3-8-18(17)21(22,23)24/h2-8,13,16H,9-12H2,1H3,(H,25,27)
InChIKeyDODBTVMCZZTILY-UHFFFAOYSA-N
XLogP4.05
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.41
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-methylbenzoyl)piperidin-4-yl]-2-(trifluoromethyl)benzamide
CID 108555134
N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]pyridine-3-carboxamide
CID 47796880
3-methyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzamide
CID 108555310
2-methoxy-N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]benzamide
CID 108549236
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-methylbenzamide
CID 110819857
4-tert-butyl-N-[1-(3-methylbenzoyl)piperidin-4-yl]benzamide
CID 108554160
4-(4-methylphenyl)-4-oxo-N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]butanamide
CID 108552068
N-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-(trifluoromethyl)benzamide
CID 108555137
3-methoxy-N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]propanamide
CID 108556215
2-(4-methylphenoxy)-N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide
CID 108556994
3,4-dimethyl-N-[1-(2-sulfanylbenzoyl)piperidin-4-yl]benzamide
CID 108557610
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-(trifluoromethyl)benzamide
CID 38215685

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]benzamide?
The IUPAC name of 3-methyl-N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]benzamide (CID 108555379) is 3-methyl-N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 3-methyl-N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]benzamide?
The canonical SMILES for 3-methyl-N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]benzamide is Cc1cccc(C(=O)NC2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)c1.
What is the InChIKey of 3-methyl-N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]benzamide?
The InChIKey is DODBTVMCZZTILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N2O2/c1-14-5-4-6-15(13-14)19(27)25-16-9-11-26(12-10-16)20(28)17-7-2-3-8-18(17)21(22,23)24/h2-8,13,16H,9-12H2,1H3,(H,25,27).
What are the key properties of 3-methyl-N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]benzamide?
3-methyl-N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]benzamide has a molecular weight of 390.41 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 108555379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).