3-phenyl-1-(1-phenyl-2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)piperidin-2-one

C24H27F3N2O — CID 19421901

IUPAC3-phenyl-1-(1-phenyl-2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)piperidin-2-one
SMILESO=C1N(C(CN2CCCC2)c2ccccc2)CCCC1(c1ccccc1)C(F)(F)F
InChIInChI=1S/C24H27F3N2O/c25-24(26,27)23(20-12-5-2-6-13-20)14-9-17-29(22(23)30)21(18-28-15-7-8-16-28)19-10-3-1-4-11-19/h1-6,10-13,21H,7-9,14-18H2
InChIKeyIKTWTKIOFPFNTQ-UHFFFAOYSA-N
MW416.49 g/mol
LogP4.95
Rot. Bonds5

About 3-phenyl-1-(1-phenyl-2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)piperidin-2-one

3-phenyl-1-(1-phenyl-2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)piperidin-2-one (PubChem CID 19421901) has the molecular formula C24H27F3N2O and a molecular weight of 416.49 g/mol. Its IUPAC name is 3-phenyl-1-(1-phenyl-2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)piperidin-2-one.

Molecular Properties

Compound Name3-phenyl-1-(1-phenyl-2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)piperidin-2-one
PubChem CID19421901
Molecular FormulaC24H27F3N2O
Molecular Weight416.49 g/mol
Exact Mass416.21
IUPAC Name3-phenyl-1-(1-phenyl-2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)piperidin-2-one
SMILESO=C1N(C(CN2CCCC2)c2ccccc2)CCCC1(c1ccccc1)C(F)(F)F
InChIInChI=1S/C24H27F3N2O/c25-24(26,27)23(20-12-5-2-6-13-20)14-9-17-29(22(23)30)21(18-28-15-7-8-16-28)19-10-3-1-4-11-19/h1-6,10-13,21H,7-9,14-18H2
InChIKeyIKTWTKIOFPFNTQ-UHFFFAOYSA-N
XLogP4.95
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]-3-[4-(trifluoromethyl)phenyl]piperidin-2-one
CID 54473974
1-methyl-3-phenyl-3-(trifluoromethyl)pyrrolidin-2-one
CID 132521429
1-phenyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)cyclopropane-1-carboxamide
CID 66685345
1-phenyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclopropane-1-carboxamide;hydrochloride
CID 56648017
2-phenyl-4-(1-phenyl-2-pyrrolidin-1-ylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine
CID 13212014
1-phenyl-N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]cyclohexane-1-carboxamide
CID 66692251
1-methyl-2-phenyl-2-(trifluoromethyl)pyrrolidine
CID 121014362
2-phenyl-4-(1-phenyl-2-pyrrolidin-1-ylethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine;trihydrochloride
CID 24844907
3-(3,4-dichlorophenyl)-1-(1-phenyl-2-pyrrolidin-1-ylethyl)piperidine-2,4-dione
CID 19421899
(3S)-3-benzyl-3-ethyl-1-[(1R)-2-hydroxy-1-phenylethyl]piperidin-2-one
CID 16723841
1-(1-phenyl-2-pyrrolidin-1-ylethyl)-6-(3-pyrrolidin-1-ylsulfonylphenyl)-5,6-dihydro-2H-azepin-7-one
CID 22573216
lithium [(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]-(2,2,2-trifluoroethyl)azanide
CID 135040334

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-(1-phenyl-2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)piperidin-2-one?
The IUPAC name of 3-phenyl-1-(1-phenyl-2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)piperidin-2-one (CID 19421901) is 3-phenyl-1-(1-phenyl-2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)piperidin-2-one.
What is the SMILES notation for 3-phenyl-1-(1-phenyl-2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)piperidin-2-one?
The canonical SMILES for 3-phenyl-1-(1-phenyl-2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)piperidin-2-one is O=C1N(C(CN2CCCC2)c2ccccc2)CCCC1(c1ccccc1)C(F)(F)F.
What is the InChIKey of 3-phenyl-1-(1-phenyl-2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)piperidin-2-one?
The InChIKey is IKTWTKIOFPFNTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3N2O/c25-24(26,27)23(20-12-5-2-6-13-20)14-9-17-29(22(23)30)21(18-28-15-7-8-16-28)19-10-3-1-4-11-19/h1-6,10-13,21H,7-9,14-18H2.
What are the key properties of 3-phenyl-1-(1-phenyl-2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)piperidin-2-one?
3-phenyl-1-(1-phenyl-2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)piperidin-2-one has a molecular weight of 416.49 g/mol, XLogP of 4.95, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-(1-phenyl-2-pyrrolidin-1-ylethyl)-3-(trifluoromethyl)piperidin-2-one is sourced from PubChem (CID 19421901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).