5-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]phenyl]pyrrolidin-2-one

C25H30F3N3O — CID 23048806

IUPAC5-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]phenyl]pyrrolidin-2-one
SMILESCCC(Cc1ccc(C2CCC(=O)N2)cc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C25H30F3N3O/c1-2-21(16-18-6-8-19(9-7-18)23-10-11-24(32)29-23)30-12-14-31(15-13-30)22-5-3-4-20(17-22)25(26,27)28/h3-9,17,21,23H,2,10-16H2,1H3,(H,29,32)
InChIKeyVXKSQRBBHGBMNF-UHFFFAOYSA-N
MW445.53 g/mol
LogP4.80
Rot. Bonds6

About 5-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]phenyl]pyrrolidin-2-one

5-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]phenyl]pyrrolidin-2-one (PubChem CID 23048806) has the molecular formula C25H30F3N3O and a molecular weight of 445.53 g/mol. Its IUPAC name is 5-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]phenyl]pyrrolidin-2-one
PubChem CID23048806
Molecular FormulaC25H30F3N3O
Molecular Weight445.53 g/mol
Exact Mass445.23
IUPAC Name5-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]phenyl]pyrrolidin-2-one
SMILESCCC(Cc1ccc(C2CCC(=O)N2)cc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C25H30F3N3O/c1-2-21(16-18-6-8-19(9-7-18)23-10-11-24(32)29-23)30-12-14-31(15-13-30)22-5-3-4-20(17-22)25(26,27)28/h3-9,17,21,23H,2,10-16H2,1H3,(H,29,32)
InChIKeyVXKSQRBBHGBMNF-UHFFFAOYSA-N
XLogP4.80
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.53
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[4-[1-hydroxy-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]phenyl]pyrrolidin-2-one
CID 139880387
5-[4-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butanoyl]phenyl]pyrrolidin-2-one
CID 139711919
1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-amine
CID 173434640
1-[3-(trifluoromethyl)phenyl]-4-[(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]piperazine
CID 1375720
N-methyl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanamine
CID 150897993
8-[3-(trifluoromethyl)phenyl]azocan-2-one
CID 165498887
2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide
CID 18082732
1-(4-phenylbutan-2-yl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 2846572
4-[(3R)-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]phenol
CID 30983391
(2R)-N-propyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide
CID 9459892
3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butanenitrile
CID 60811985
1-phenyl-4-[(2S)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]piperazine
CID 782196

Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]phenyl]pyrrolidin-2-one?
The IUPAC name of 5-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]phenyl]pyrrolidin-2-one (CID 23048806) is 5-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]phenyl]pyrrolidin-2-one?
The canonical SMILES for 5-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]phenyl]pyrrolidin-2-one is CCC(Cc1ccc(C2CCC(=O)N2)cc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 5-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]phenyl]pyrrolidin-2-one?
The InChIKey is VXKSQRBBHGBMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30F3N3O/c1-2-21(16-18-6-8-19(9-7-18)23-10-11-24(32)29-23)30-12-14-31(15-13-30)22-5-3-4-20(17-22)25(26,27)28/h3-9,17,21,23H,2,10-16H2,1H3,(H,29,32).
What are the key properties of 5-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]phenyl]pyrrolidin-2-one?
5-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]phenyl]pyrrolidin-2-one has a molecular weight of 445.53 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 23048806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).