N-[1-(4-methylbenzoyl)piperidin-4-yl]-2-(trifluoromethyl)benzamide

C21H21F3N2O2 — CID 108555134

IUPACN-[1-(4-methylbenzoyl)piperidin-4-yl]-2-(trifluoromethyl)benzamide
SMILESCc1ccc(C(=O)N2CCC(NC(=O)c3ccccc3C(F)(F)F)CC2)cc1
InChIInChI=1S/C21H21F3N2O2/c1-14-6-8-15(9-7-14)20(28)26-12-10-16(11-13-26)25-19(27)17-4-2-3-5-18(17)21(22,23)24/h2-9,16H,10-13H2,1H3,(H,25,27)
InChIKeyKBILMJKPJRFNJO-UHFFFAOYSA-N
MW390.41 g/mol
LogP4.05
Rot. Bonds3

About N-[1-(4-methylbenzoyl)piperidin-4-yl]-2-(trifluoromethyl)benzamide

N-[1-(4-methylbenzoyl)piperidin-4-yl]-2-(trifluoromethyl)benzamide (PubChem CID 108555134) has the molecular formula C21H21F3N2O2 and a molecular weight of 390.41 g/mol. Its IUPAC name is N-[1-(4-methylbenzoyl)piperidin-4-yl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[1-(4-methylbenzoyl)piperidin-4-yl]-2-(trifluoromethyl)benzamide
PubChem CID108555134
Molecular FormulaC21H21F3N2O2
Molecular Weight390.41 g/mol
Exact Mass390.16
IUPAC NameN-[1-(4-methylbenzoyl)piperidin-4-yl]-2-(trifluoromethyl)benzamide
SMILESCc1ccc(C(=O)N2CCC(NC(=O)c3ccccc3C(F)(F)F)CC2)cc1
InChIInChI=1S/C21H21F3N2O2/c1-14-6-8-15(9-7-14)20(28)26-12-10-16(11-13-26)25-19(27)17-4-2-3-5-18(17)21(22,23)24/h2-9,16H,10-13H2,1H3,(H,25,27)
InChIKeyKBILMJKPJRFNJO-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-fluorobenzoyl)piperidin-4-yl]-2-(trifluoromethyl)benzamide
CID 108555137
N-[1-(4-methylbenzoyl)piperidin-4-yl]-2-sulfanylbenzamide
CID 108554659
ethyl [4-[4-[[2-(trifluoromethyl)benzoyl]amino]piperidine-1-carbonyl]phenyl] carbonate
CID 108930391
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-(trifluoromethyl)benzamide
CID 38215685
N-[1-(4-methylbenzoyl)piperidin-4-yl]-4-(trifluoromethyl)benzamide
CID 108558531
3-methyl-N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]benzamide
CID 108555379
4-(4-methylphenyl)-4-oxo-N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]butanamide
CID 108552068
2-methoxy-N-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]benzamide
CID 108549236
N-[1-[1-[4-(2-phenylethynyl)benzoyl]piperidin-4-yl]piperidin-4-yl]-2-(trifluoromethyl)benzamide
CID 171684796
2-methoxy-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]benzamide
CID 108549263
4-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]benzoic acid
CID 119183945
N-[1-(2-chloroacetyl)piperidin-4-yl]-2-(trifluoromethyl)benzamide
CID 108561789

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylbenzoyl)piperidin-4-yl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[1-(4-methylbenzoyl)piperidin-4-yl]-2-(trifluoromethyl)benzamide (CID 108555134) is N-[1-(4-methylbenzoyl)piperidin-4-yl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[1-(4-methylbenzoyl)piperidin-4-yl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[1-(4-methylbenzoyl)piperidin-4-yl]-2-(trifluoromethyl)benzamide is Cc1ccc(C(=O)N2CCC(NC(=O)c3ccccc3C(F)(F)F)CC2)cc1.
What is the InChIKey of N-[1-(4-methylbenzoyl)piperidin-4-yl]-2-(trifluoromethyl)benzamide?
The InChIKey is KBILMJKPJRFNJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N2O2/c1-14-6-8-15(9-7-14)20(28)26-12-10-16(11-13-26)25-19(27)17-4-2-3-5-18(17)21(22,23)24/h2-9,16H,10-13H2,1H3,(H,25,27).
What are the key properties of N-[1-(4-methylbenzoyl)piperidin-4-yl]-2-(trifluoromethyl)benzamide?
N-[1-(4-methylbenzoyl)piperidin-4-yl]-2-(trifluoromethyl)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 N-[1-(4-methylbenzoyl)piperidin-4-yl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 108555134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).