1-[3-[4-[2-(4-fluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]pyrrolidin-2-one

C23H26FN3O2 — CID 110308578

IUPAC1-[3-[4-[2-(4-fluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]pyrrolidin-2-one
SMILESO=C(c1cccc(N2CCCC2=O)c1)N1CCN(CCc2ccc(F)cc2)CC1
InChIInChI=1S/C23H26FN3O2/c24-20-8-6-18(7-9-20)10-12-25-13-15-26(16-14-25)23(29)19-3-1-4-21(17-19)27-11-2-5-22(27)28/h1,3-4,6-9,17H,2,5,10-16H2
InChIKeyYGGONQBYZKSBPM-UHFFFAOYSA-N
MW395.48 g/mol
LogP2.95
Rot. Bonds5

About 1-[3-[4-[2-(4-fluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]pyrrolidin-2-one

1-[3-[4-[2-(4-fluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]pyrrolidin-2-one (PubChem CID 110308578) has the molecular formula C23H26FN3O2 and a molecular weight of 395.48 g/mol. Its IUPAC name is 1-[3-[4-[2-(4-fluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[4-[2-(4-fluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]pyrrolidin-2-one
PubChem CID110308578
Molecular FormulaC23H26FN3O2
Molecular Weight395.48 g/mol
Exact Mass395.20
IUPAC Name1-[3-[4-[2-(4-fluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]pyrrolidin-2-one
SMILESO=C(c1cccc(N2CCCC2=O)c1)N1CCN(CCc2ccc(F)cc2)CC1
InChIInChI=1S/C23H26FN3O2/c24-20-8-6-18(7-9-20)10-12-25-13-15-26(16-14-25)23(29)19-3-1-4-21(17-19)27-11-2-5-22(27)28/h1,3-4,6-9,17H,2,5,10-16H2
InChIKeyYGGONQBYZKSBPM-UHFFFAOYSA-N
XLogP2.95
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 55432883
N-[(4-fluorophenyl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 3466711
3-(2-oxopiperidin-1-yl)benzoic acid
CID 24689039
4-(naphthalen-2-ylmethyl)-1-[3-(2-oxopyrrolidin-1-yl)benzoyl]-1,4-diazepan-5-one
CID 118757851
1-[(4-fluorophenyl)methyl]-3-[3-(piperidine-1-carbonyl)phenyl]-1,3-diazinan-2-one
CID 50814385
1-[3-[4-[2-(1H-pyrazol-4-yl)acetyl]-1,4-diazepane-1-carbonyl]phenyl]pyrrolidin-2-one
CID 167794977
(4-chlorophenyl)-[4-[2-(4-fluorophenyl)ethyl]piperazin-1-yl]methanone
CID 21275348
N-[2-(4-fluorophenyl)-2-oxoethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 110409978
1-[3-[3-[(4-chlorophenyl)methyl]pyrrolidine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 166613591
1-[3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]pyrrolidin-2-one
CID 3240026
1-[3-(4-benzoylpiperidine-1-carbonyl)phenyl]pyrrolidin-2-one
CID 18145970
1-[3-(4-phenylmethoxypiperidine-1-carbonyl)phenyl]pyrrolidin-2-one
CID 51278700

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-[2-(4-fluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[4-[2-(4-fluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]pyrrolidin-2-one (CID 110308578) is 1-[3-[4-[2-(4-fluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[4-[2-(4-fluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[4-[2-(4-fluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]pyrrolidin-2-one is O=C(c1cccc(N2CCCC2=O)c1)N1CCN(CCc2ccc(F)cc2)CC1.
What is the InChIKey of 1-[3-[4-[2-(4-fluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]pyrrolidin-2-one?
The InChIKey is YGGONQBYZKSBPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN3O2/c24-20-8-6-18(7-9-20)10-12-25-13-15-26(16-14-25)23(29)19-3-1-4-21(17-19)27-11-2-5-22(27)28/h1,3-4,6-9,17H,2,5,10-16H2.
What are the key properties of 1-[3-[4-[2-(4-fluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]pyrrolidin-2-one?
1-[3-[4-[2-(4-fluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]pyrrolidin-2-one has a molecular weight of 395.48 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-[2-(4-fluorophenyl)ethyl]piperazine-1-carbonyl]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 110308578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).