1-[3-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]phenyl]pyrrolidin-2-one

C23H24F3N3O2 — CID 55432883

IUPAC1-[3-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]phenyl]pyrrolidin-2-one
SMILESO=C(c1cccc(N2CCCC2=O)c1)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C23H24F3N3O2/c24-23(25,26)19-8-6-17(7-9-19)16-27-11-13-28(14-12-27)22(31)18-3-1-4-20(15-18)29-10-2-5-21(29)30/h1,3-4,6-9,15H,2,5,10-14,16H2
InChIKeyBCDOREZKPTXMAZ-UHFFFAOYSA-N
MW431.46 g/mol
LogP3.79
Rot. Bonds4

About 1-[3-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]phenyl]pyrrolidin-2-one

1-[3-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]phenyl]pyrrolidin-2-one (PubChem CID 55432883) has the molecular formula C23H24F3N3O2 and a molecular weight of 431.46 g/mol. Its IUPAC name is 1-[3-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]phenyl]pyrrolidin-2-one
PubChem CID55432883
Molecular FormulaC23H24F3N3O2
Molecular Weight431.46 g/mol
Exact Mass431.18
IUPAC Name1-[3-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]phenyl]pyrrolidin-2-one
SMILESO=C(c1cccc(N2CCCC2=O)c1)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C23H24F3N3O2/c24-23(25,26)19-8-6-17(7-9-19)16-27-11-13-28(14-12-27)22(31)18-3-1-4-20(15-18)29-10-2-5-21(29)30/h1,3-4,6-9,15H,2,5,10-14,16H2
InChIKeyBCDOREZKPTXMAZ-UHFFFAOYSA-N
XLogP3.79
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.46
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydro-1H-inden-5-yl-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 24515375
1-[3-[4-[2-(4-fluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 110308578
methyl 3-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]benzoate
CID 55760139
2,3-dihydro-1H-inden-5-yl-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 9021240
4-(naphthalen-2-ylmethyl)-1-[3-(2-oxopyrrolidin-1-yl)benzoyl]-1,4-diazepan-5-one
CID 118757851
1-[4-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]phenyl]piperidin-2-one
CID 134040966
3-(2-oxopiperidin-1-yl)benzoic acid
CID 24689039
3-[[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]methyl]benzamide
CID 86993504
(4-ethylphenyl)-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 55433059
1-[4-[(E)-3-oxo-3-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]prop-1-enyl]phenyl]pyrrolidin-2-one
CID 24610507
1,3-benzodioxol-5-yl-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 17483209
N-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-[4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-1-yl]acetamide
CID 24618121

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]phenyl]pyrrolidin-2-one (CID 55432883) is 1-[3-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]phenyl]pyrrolidin-2-one is O=C(c1cccc(N2CCCC2=O)c1)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of 1-[3-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]phenyl]pyrrolidin-2-one?
The InChIKey is BCDOREZKPTXMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N3O2/c24-23(25,26)19-8-6-17(7-9-19)16-27-11-13-28(14-12-27)22(31)18-3-1-4-20(15-18)29-10-2-5-21(29)30/h1,3-4,6-9,15H,2,5,10-14,16H2.
What are the key properties of 1-[3-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]phenyl]pyrrolidin-2-one?
1-[3-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]phenyl]pyrrolidin-2-one has a molecular weight of 431.46 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 55432883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).