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

C21H21F3N2O2 — CID 108558531

IUPACN-[1-(4-methylbenzoyl)piperidin-4-yl]-4-(trifluoromethyl)benzamide
SMILESCc1ccc(C(=O)N2CCC(NC(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1
InChIInChI=1S/C21H21F3N2O2/c1-14-2-4-16(5-3-14)20(28)26-12-10-18(11-13-26)25-19(27)15-6-8-17(9-7-15)21(22,23)24/h2-9,18H,10-13H2,1H3,(H,25,27)
InChIKeyXNCJQKTZFUZUMB-UHFFFAOYSA-N
MW390.41 g/mol
LogP4.05
Rot. Bonds3

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

N-[1-(4-methylbenzoyl)piperidin-4-yl]-4-(trifluoromethyl)benzamide (PubChem CID 108558531) 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]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[1-(4-methylbenzoyl)piperidin-4-yl]-4-(trifluoromethyl)benzamide
PubChem CID108558531
Molecular FormulaC21H21F3N2O2
Molecular Weight390.41 g/mol
Exact Mass390.16
IUPAC NameN-[1-(4-methylbenzoyl)piperidin-4-yl]-4-(trifluoromethyl)benzamide
SMILESCc1ccc(C(=O)N2CCC(NC(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1
InChIInChI=1S/C21H21F3N2O2/c1-14-2-4-16(5-3-14)20(28)26-12-10-18(11-13-26)25-19(27)15-6-8-17(9-7-15)21(22,23)24/h2-9,18H,10-13H2,1H3,(H,25,27)
InChIKeyXNCJQKTZFUZUMB-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

4-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]benzoic acid
CID 119183945
N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-4-(trifluoromethyl)benzamide
CID 108558603
N-[1-(4-methylbenzoyl)piperidin-4-yl]-2-(trifluoromethyl)benzamide
CID 108555134
2-methoxy-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]benzamide
CID 108549263
3,4,5-trihydroxy-N-[1-(4-methylbenzoyl)piperidin-4-yl]benzamide
CID 108551461
N-[(3S)-1-acetylpyrrolidin-3-yl]-4-(trifluoromethyl)benzamide
CID 124508544
2,5-dimethyl-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]benzenesulfonamide
CID 108567274
2-(2,4-dimethylphenoxy)-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide
CID 108551120
4-bromo-N-[1-(4-tert-butylbenzoyl)piperidin-4-yl]benzamide
CID 108550518
N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyridine-4-carboxamide
CID 110821209
N-[1-(4-methylbenzoyl)piperidin-4-yl]-2-sulfanylbenzamide
CID 108554659
N-cyclopentyl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 26017391

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylbenzoyl)piperidin-4-yl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[1-(4-methylbenzoyl)piperidin-4-yl]-4-(trifluoromethyl)benzamide (CID 108558531) is N-[1-(4-methylbenzoyl)piperidin-4-yl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[1-(4-methylbenzoyl)piperidin-4-yl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[1-(4-methylbenzoyl)piperidin-4-yl]-4-(trifluoromethyl)benzamide is Cc1ccc(C(=O)N2CCC(NC(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1.
What is the InChIKey of N-[1-(4-methylbenzoyl)piperidin-4-yl]-4-(trifluoromethyl)benzamide?
The InChIKey is XNCJQKTZFUZUMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N2O2/c1-14-2-4-16(5-3-14)20(28)26-12-10-18(11-13-26)25-19(27)15-6-8-17(9-7-15)21(22,23)24/h2-9,18H,10-13H2,1H3,(H,25,27).
What are the key properties of N-[1-(4-methylbenzoyl)piperidin-4-yl]-4-(trifluoromethyl)benzamide?
N-[1-(4-methylbenzoyl)piperidin-4-yl]-4-(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]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 108558531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).