N-[4-methyl-3-(trifluoromethyl)phenyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide

C21H21F3N2O2 — CID 56515457

IUPACN-[4-methyl-3-(trifluoromethyl)phenyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
SMILESCc1ccc(NC(=O)C(c2ccccc2)N2CCCCC2=O)cc1C(F)(F)F
InChIInChI=1S/C21H21F3N2O2/c1-14-10-11-16(13-17(14)21(22,23)24)25-20(28)19(15-7-3-2-4-8-15)26-12-6-5-9-18(26)27/h2-4,7-8,10-11,13,19H,5-6,9,12H2,1H3,(H,25,28)
InChIKeyCTDIUUHOAKIXCK-UHFFFAOYSA-N
MW390.41 g/mol
LogP4.71
Rot. Bonds4

About N-[4-methyl-3-(trifluoromethyl)phenyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide

N-[4-methyl-3-(trifluoromethyl)phenyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide (PubChem CID 56515457) has the molecular formula C21H21F3N2O2 and a molecular weight of 390.41 g/mol. Its IUPAC name is N-[4-methyl-3-(trifluoromethyl)phenyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide.

Molecular Properties

Compound NameN-[4-methyl-3-(trifluoromethyl)phenyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
PubChem CID56515457
Molecular FormulaC21H21F3N2O2
Molecular Weight390.41 g/mol
Exact Mass390.16
IUPAC NameN-[4-methyl-3-(trifluoromethyl)phenyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
SMILESCc1ccc(NC(=O)C(c2ccccc2)N2CCCCC2=O)cc1C(F)(F)F
InChIInChI=1S/C21H21F3N2O2/c1-14-10-11-16(13-17(14)21(22,23)24)25-20(28)19(15-7-3-2-4-8-15)26-12-6-5-9-18(26)27/h2-4,7-8,10-11,13,19H,5-6,9,12H2,1H3,(H,25,28)
InChIKeyCTDIUUHOAKIXCK-UHFFFAOYSA-N
XLogP4.71
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.41
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]amino]benzoic acid
CID 119219540
N-methyl-2-(2-oxopyrrolidin-1-yl)-2-phenylacetamide
CID 123551367
N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56513321
N-cyclopentyl-4-[[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]amino]benzamide
CID 56513712
N-(3-cyclopentyloxyphenyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56515228
2-(2-oxopiperidin-1-yl)-2-phenyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 56515108
N-[4-(ethylsulfonylamino)-3-methoxyphenyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56513978
N-[3-(1,3-dithian-2-yl)phenyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56516841
(2R)-N-(3-fluoro-4-pyrazol-1-ylphenyl)-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 99816438
2-(2-oxopiperidin-1-yl)-2-phenyl-N-[3-(piperidin-1-ylmethyl)phenyl]acetamide
CID 56513814
2-methoxyethyl N-[3-[[2-(2-oxopiperidin-1-yl)-2-phenylacetyl]amino]phenyl]carbamate
CID 56577209
N-[4-[(3-fluorophenyl)sulfamoyl]phenyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide
CID 56514636

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-(trifluoromethyl)phenyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide?
The IUPAC name of N-[4-methyl-3-(trifluoromethyl)phenyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide (CID 56515457) is N-[4-methyl-3-(trifluoromethyl)phenyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide.
What is the SMILES notation for N-[4-methyl-3-(trifluoromethyl)phenyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide?
The canonical SMILES for N-[4-methyl-3-(trifluoromethyl)phenyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide is Cc1ccc(NC(=O)C(c2ccccc2)N2CCCCC2=O)cc1C(F)(F)F.
What is the InChIKey of N-[4-methyl-3-(trifluoromethyl)phenyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide?
The InChIKey is CTDIUUHOAKIXCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N2O2/c1-14-10-11-16(13-17(14)21(22,23)24)25-20(28)19(15-7-3-2-4-8-15)26-12-6-5-9-18(26)27/h2-4,7-8,10-11,13,19H,5-6,9,12H2,1H3,(H,25,28).
What are the key properties of N-[4-methyl-3-(trifluoromethyl)phenyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide?
N-[4-methyl-3-(trifluoromethyl)phenyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide has a molecular weight of 390.41 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-(trifluoromethyl)phenyl]-2-(2-oxopiperidin-1-yl)-2-phenylacetamide is sourced from PubChem (CID 56515457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).