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

C31H31F3N2O2 — CID 67357691

IUPAC1-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]-3,3-diphenylpiperidin-2-one
SMILESO=C(CN1CCCC(c2ccccc2)(c2ccccc2)C1=O)N1CCC(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C31H31F3N2O2/c32-31(33,34)27-14-7-9-24(21-27)23-15-19-35(20-16-23)28(37)22-36-18-8-17-30(29(36)38,25-10-3-1-4-11-25)26-12-5-2-6-13-26/h1-7,9-14,21,23H,8,15-20,22H2
InChIKeyXEOFLYHGZQQYAZ-UHFFFAOYSA-N
MW520.60 g/mol
LogP6.02
Rot. Bonds5

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

1-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]-3,3-diphenylpiperidin-2-one (PubChem CID 67357691) has the molecular formula C31H31F3N2O2 and a molecular weight of 520.60 g/mol. Its IUPAC name is 1-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]-3,3-diphenylpiperidin-2-one.

Molecular Properties

Compound Name1-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]-3,3-diphenylpiperidin-2-one
PubChem CID67357691
Molecular FormulaC31H31F3N2O2
Molecular Weight520.60 g/mol
Exact Mass520.23
IUPAC Name1-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]-3,3-diphenylpiperidin-2-one
SMILESO=C(CN1CCCC(c2ccccc2)(c2ccccc2)C1=O)N1CCC(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C31H31F3N2O2/c32-31(33,34)27-14-7-9-24(21-27)23-15-19-35(20-16-23)28(37)22-36-18-8-17-30(29(36)38,25-10-3-1-4-11-25)26-12-5-2-6-13-26/h1-7,9-14,21,23H,8,15-20,22H2
InChIKeyXEOFLYHGZQQYAZ-UHFFFAOYSA-N
XLogP6.02
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.60
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]-3,3-diphenylpiperidin-2-one with MolForge

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Related Compounds

1-[2-oxo-2-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]-3,3-diphenylpiperidin-2-one
CID 57396818
1-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-3,3-diphenylpiperidin-2-one
CID 53386258
2-(2-oxo-3,3-diphenylpiperidin-1-yl)-N-piperidin-4-yl-N-[4-(trifluoromethyl)phenyl]acetamide
CID 45274819
3,3-diphenyl-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]piperidin-2-one
CID 67359428
N-[(2R)-4-imino-5-[3-(trifluoromethyl)phenyl]pentan-2-yl]-2-(2-oxo-3,3-diphenylpiperidin-1-yl)acetamide
CID 174630033
2-[2,2-dimethyl-3-[3-(trifluoromethyl)phenyl]pyrrolidin-1-yl]acetic acid
CID 138056859
N,4-bis[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 162535440
3-[[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]methyl]bicyclo[1.1.1]pentane-1-carboxylic acid
CID 166288064
N,N-diphenyl-4-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]butanamide
CID 159064661
1-methyl-4-[3-(trifluoromethyl)phenyl]piperidine
CID 18722963
1-cyclobutyl-3-(trifluoromethyl)benzene
CID 67441515
1-cyclopropyl-3-(trifluoromethyl)benzene
CID 12509713

Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]-3,3-diphenylpiperidin-2-one?
The IUPAC name of 1-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]-3,3-diphenylpiperidin-2-one (CID 67357691) is 1-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]-3,3-diphenylpiperidin-2-one.
What is the SMILES notation for 1-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]-3,3-diphenylpiperidin-2-one?
The canonical SMILES for 1-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]-3,3-diphenylpiperidin-2-one is O=C(CN1CCCC(c2ccccc2)(c2ccccc2)C1=O)N1CCC(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 1-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]-3,3-diphenylpiperidin-2-one?
The InChIKey is XEOFLYHGZQQYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31F3N2O2/c32-31(33,34)27-14-7-9-24(21-27)23-15-19-35(20-16-23)28(37)22-36-18-8-17-30(29(36)38,25-10-3-1-4-11-25)26-12-5-2-6-13-26/h1-7,9-14,21,23H,8,15-20,22H2.
What are the key properties of 1-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]-3,3-diphenylpiperidin-2-one?
1-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]-3,3-diphenylpiperidin-2-one has a molecular weight of 520.60 g/mol, XLogP of 6.02, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]-3,3-diphenylpiperidin-2-one is sourced from PubChem (CID 67357691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).