2-[1-[3-(2-methylphenyl)-5-(trifluoromethyl)benzoyl]piperidin-4-yl]-N-phenylacetamide

C28H27F3N2O2 — CID 59925822

IUPAC2-[1-[3-(2-methylphenyl)-5-(trifluoromethyl)benzoyl]piperidin-4-yl]-N-phenylacetamide
SMILESCc1ccccc1-c1cc(C(=O)N2CCC(CC(=O)Nc3ccccc3)CC2)cc(C(F)(F)F)c1
InChIInChI=1S/C28H27F3N2O2/c1-19-7-5-6-10-25(19)21-16-22(18-23(17-21)28(29,30)31)27(35)33-13-11-20(12-14-33)15-26(34)32-24-8-3-2-4-9-24/h2-10,16-18,20H,11-15H2,1H3,(H,32,34)
InChIKeyVKOHEXWIZSOUKW-UHFFFAOYSA-N
MW480.53 g/mol
LogP6.56
Rot. Bonds5

About 2-[1-[3-(2-methylphenyl)-5-(trifluoromethyl)benzoyl]piperidin-4-yl]-N-phenylacetamide

2-[1-[3-(2-methylphenyl)-5-(trifluoromethyl)benzoyl]piperidin-4-yl]-N-phenylacetamide (PubChem CID 59925822) has the molecular formula C28H27F3N2O2 and a molecular weight of 480.53 g/mol. Its IUPAC name is 2-[1-[3-(2-methylphenyl)-5-(trifluoromethyl)benzoyl]piperidin-4-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[1-[3-(2-methylphenyl)-5-(trifluoromethyl)benzoyl]piperidin-4-yl]-N-phenylacetamide
PubChem CID59925822
Molecular FormulaC28H27F3N2O2
Molecular Weight480.53 g/mol
Exact Mass480.20
IUPAC Name2-[1-[3-(2-methylphenyl)-5-(trifluoromethyl)benzoyl]piperidin-4-yl]-N-phenylacetamide
SMILESCc1ccccc1-c1cc(C(=O)N2CCC(CC(=O)Nc3ccccc3)CC2)cc(C(F)(F)F)c1
InChIInChI=1S/C28H27F3N2O2/c1-19-7-5-6-10-25(19)21-16-22(18-23(17-21)28(29,30)31)27(35)33-13-11-20(12-14-33)15-26(34)32-24-8-3-2-4-9-24/h2-10,16-18,20H,11-15H2,1H3,(H,32,34)
InChIKeyVKOHEXWIZSOUKW-UHFFFAOYSA-N
XLogP6.56
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.53
LogP ≤ 56.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3,5-bis(trifluoromethyl)phenyl]-(4-phenylpiperidin-1-yl)methanone
CID 44765726
2-[1-[3-methyl-5-(2-pyridin-2-ylethynyl)benzoyl]piperidin-4-yl]-N-phenylacetamide
CID 59925833
N-[3-[4-(ethylaminomethyl)piperidine-1-carbonyl]-5-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119646337
2-cyclopropyl-N-phenylacetamide
CID 60753326
N-[3,5-bis(trifluoromethyl)phenyl]-2-[1-(2-hydroxypropanoyl)piperidin-4-yl]acetamide
CID 130216413
2-[1-[3-fluoro-5-(trifluoromethyl)benzoyl]azepan-4-yl]acetic acid
CID 120949981
2-[4-(4-methylpiperidine-1-carbonyl)anilino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 54830576
N-[3-(4-aminopiperidine-1-carbonyl)-5-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119374898
3-(1-benzoylpiperidin-4-yl)-N-(4-fluorophenyl)propanamide
CID 91913390
3-(1-benzoylpiperidin-4-yl)-N-(3-fluorophenyl)propanamide
CID 91913383
N-[3-[3-(aminomethyl)pyrrolidine-1-carbonyl]-5-(trifluoromethyl)phenyl]acetamide
CID 119485287
2-(1-butylpiperidin-4-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 145278481

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(2-methylphenyl)-5-(trifluoromethyl)benzoyl]piperidin-4-yl]-N-phenylacetamide?
The IUPAC name of 2-[1-[3-(2-methylphenyl)-5-(trifluoromethyl)benzoyl]piperidin-4-yl]-N-phenylacetamide (CID 59925822) is 2-[1-[3-(2-methylphenyl)-5-(trifluoromethyl)benzoyl]piperidin-4-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[1-[3-(2-methylphenyl)-5-(trifluoromethyl)benzoyl]piperidin-4-yl]-N-phenylacetamide?
The canonical SMILES for 2-[1-[3-(2-methylphenyl)-5-(trifluoromethyl)benzoyl]piperidin-4-yl]-N-phenylacetamide is Cc1ccccc1-c1cc(C(=O)N2CCC(CC(=O)Nc3ccccc3)CC2)cc(C(F)(F)F)c1.
What is the InChIKey of 2-[1-[3-(2-methylphenyl)-5-(trifluoromethyl)benzoyl]piperidin-4-yl]-N-phenylacetamide?
The InChIKey is VKOHEXWIZSOUKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27F3N2O2/c1-19-7-5-6-10-25(19)21-16-22(18-23(17-21)28(29,30)31)27(35)33-13-11-20(12-14-33)15-26(34)32-24-8-3-2-4-9-24/h2-10,16-18,20H,11-15H2,1H3,(H,32,34).
What are the key properties of 2-[1-[3-(2-methylphenyl)-5-(trifluoromethyl)benzoyl]piperidin-4-yl]-N-phenylacetamide?
2-[1-[3-(2-methylphenyl)-5-(trifluoromethyl)benzoyl]piperidin-4-yl]-N-phenylacetamide has a molecular weight of 480.53 g/mol, XLogP of 6.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(2-methylphenyl)-5-(trifluoromethyl)benzoyl]piperidin-4-yl]-N-phenylacetamide is sourced from PubChem (CID 59925822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).