2-(2-oxo-3,3-diphenylpiperidin-1-yl)-N-piperidin-4-yl-N-[4-(trifluoromethyl)phenyl]acetamide

C31H32F3N3O2 — CID 45274819

IUPAC2-(2-oxo-3,3-diphenylpiperidin-1-yl)-N-piperidin-4-yl-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CN1CCCC(c2ccccc2)(c2ccccc2)C1=O)N(c1ccc(C(F)(F)F)cc1)C1CCNCC1
InChIInChI=1S/C31H32F3N3O2/c32-31(33,34)25-12-14-26(15-13-25)37(27-16-19-35-20-17-27)28(38)22-36-21-7-18-30(29(36)39,23-8-3-1-4-9-23)24-10-5-2-6-11-24/h1-6,8-15,27,35H,7,16-22H2
InChIKeyMJCBWUDIGSOMBJ-UHFFFAOYSA-N
MW535.61 g/mol
LogP5.40
Rot. Bonds6

About 2-(2-oxo-3,3-diphenylpiperidin-1-yl)-N-piperidin-4-yl-N-[4-(trifluoromethyl)phenyl]acetamide

2-(2-oxo-3,3-diphenylpiperidin-1-yl)-N-piperidin-4-yl-N-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 45274819) has the molecular formula C31H32F3N3O2 and a molecular weight of 535.61 g/mol. Its IUPAC name is 2-(2-oxo-3,3-diphenylpiperidin-1-yl)-N-piperidin-4-yl-N-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-oxo-3,3-diphenylpiperidin-1-yl)-N-piperidin-4-yl-N-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID45274819
Molecular FormulaC31H32F3N3O2
Molecular Weight535.61 g/mol
Exact Mass535.24
IUPAC Name2-(2-oxo-3,3-diphenylpiperidin-1-yl)-N-piperidin-4-yl-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CN1CCCC(c2ccccc2)(c2ccccc2)C1=O)N(c1ccc(C(F)(F)F)cc1)C1CCNCC1
InChIInChI=1S/C31H32F3N3O2/c32-31(33,34)25-12-14-26(15-13-25)37(27-16-19-35-20-17-27)28(38)22-36-21-7-18-30(29(36)39,23-8-3-1-4-9-23)24-10-5-2-6-11-24/h1-6,8-15,27,35H,7,16-22H2
InChIKeyMJCBWUDIGSOMBJ-UHFFFAOYSA-N
XLogP5.40
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.61
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]-3,3-diphenylpiperidin-2-one
CID 67357691
N-cyclohexyl-N-phenyl-2-piperazin-1-ylacetamide;2,2,2-trifluoroacetic acid
CID 175285258
1-[2-oxo-2-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]-3,3-diphenylpiperidin-2-one
CID 57396818
N-cyclohexyl-N-phenyl-2-piperidin-4-ylacetamide
CID 174812391
oxalic acid;N-phenyl-N-piperidin-4-ylpropanamide
CID 117065158
N-cyclohexyl-2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-phenylacetamide
CID 6993214
N-phenyl-2-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide
CID 59404826
N-cyclohexyl-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-phenylacetamide
CID 7266331
N-cyclohexyl-2-(3-oxopiperazin-1-yl)-N-phenylacetamide
CID 8962755
2-[3-(dimethylamino)pyrrolidin-1-yl]-N-phenyl-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide
CID 68518001
(2S)-1-[phenyl(piperidin-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 90268843
N-cyclohexyl-2-[(4R)-2',5'-dioxospiro[2,3-dihydro-1H-naphthalene-4,4'-imidazolidine]-1'-yl]-N-phenylacetamide
CID 41179879

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-3,3-diphenylpiperidin-1-yl)-N-piperidin-4-yl-N-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(2-oxo-3,3-diphenylpiperidin-1-yl)-N-piperidin-4-yl-N-[4-(trifluoromethyl)phenyl]acetamide (CID 45274819) is 2-(2-oxo-3,3-diphenylpiperidin-1-yl)-N-piperidin-4-yl-N-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(2-oxo-3,3-diphenylpiperidin-1-yl)-N-piperidin-4-yl-N-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(2-oxo-3,3-diphenylpiperidin-1-yl)-N-piperidin-4-yl-N-[4-(trifluoromethyl)phenyl]acetamide is O=C(CN1CCCC(c2ccccc2)(c2ccccc2)C1=O)N(c1ccc(C(F)(F)F)cc1)C1CCNCC1.
What is the InChIKey of 2-(2-oxo-3,3-diphenylpiperidin-1-yl)-N-piperidin-4-yl-N-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is MJCBWUDIGSOMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32F3N3O2/c32-31(33,34)25-12-14-26(15-13-25)37(27-16-19-35-20-17-27)28(38)22-36-21-7-18-30(29(36)39,23-8-3-1-4-9-23)24-10-5-2-6-11-24/h1-6,8-15,27,35H,7,16-22H2.
What are the key properties of 2-(2-oxo-3,3-diphenylpiperidin-1-yl)-N-piperidin-4-yl-N-[4-(trifluoromethyl)phenyl]acetamide?
2-(2-oxo-3,3-diphenylpiperidin-1-yl)-N-piperidin-4-yl-N-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 535.61 g/mol, XLogP of 5.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-3,3-diphenylpiperidin-1-yl)-N-piperidin-4-yl-N-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 45274819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).