5-[2-[4-(2,3-difluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidin-2-one

C16H19F2N3O2 — CID 138034526

IUPAC5-[2-[4-(2,3-difluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidin-2-one
SMILESO=C1CCC(CC(=O)N2CCN(c3cccc(F)c3F)CC2)N1
InChIInChI=1S/C16H19F2N3O2/c17-12-2-1-3-13(16(12)18)20-6-8-21(9-7-20)15(23)10-11-4-5-14(22)19-11/h1-3,11H,4-10H2,(H,19,22)
InChIKeyKDDXEOCFUFBPKI-UHFFFAOYSA-N
MW323.34 g/mol
LogP1.28
Rot. Bonds3

About 5-[2-[4-(2,3-difluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidin-2-one

5-[2-[4-(2,3-difluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidin-2-one (PubChem CID 138034526) has the molecular formula C16H19F2N3O2 and a molecular weight of 323.34 g/mol. Its IUPAC name is 5-[2-[4-(2,3-difluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[2-[4-(2,3-difluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidin-2-one
PubChem CID138034526
Molecular FormulaC16H19F2N3O2
Molecular Weight323.34 g/mol
Exact Mass323.14
IUPAC Name5-[2-[4-(2,3-difluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidin-2-one
SMILESO=C1CCC(CC(=O)N2CCN(c3cccc(F)c3F)CC2)N1
InChIInChI=1S/C16H19F2N3O2/c17-12-2-1-3-13(16(12)18)20-6-8-21(9-7-20)15(23)10-11-4-5-14(22)19-11/h1-3,11H,4-10H2,(H,19,22)
InChIKeyKDDXEOCFUFBPKI-UHFFFAOYSA-N
XLogP1.28
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.34
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[2-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]piperidin-2-one
CID 138022261
4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrazolidine-3,5-dione
CID 110703277
(3S)-3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-2,3-dihydroisoindol-1-one
CID 7660229
3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
CID 75531953
2-(cyclopropylmethylamino)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119826997
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(2,3,4-trifluoroanilino)ethanone
CID 109004504
(3S)-3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 42537473
2-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethoxy]-1-pyrrolidin-1-ylethanone
CID 7328592
4-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-oxoethyl]cyclohexan-1-one
CID 175603562
1-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]pyrrolidine-2,5-dione
CID 18106218
(5S)-5-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-dimethyl-5,7-dihydropyrrolo[2,3-d]pyrimidine-2,4,6-trione
CID 98220214
5-[2-[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
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Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(2,3-difluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidin-2-one?
The IUPAC name of 5-[2-[4-(2,3-difluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidin-2-one (CID 138034526) is 5-[2-[4-(2,3-difluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[2-[4-(2,3-difluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidin-2-one?
The canonical SMILES for 5-[2-[4-(2,3-difluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidin-2-one is O=C1CCC(CC(=O)N2CCN(c3cccc(F)c3F)CC2)N1.
What is the InChIKey of 5-[2-[4-(2,3-difluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidin-2-one?
The InChIKey is KDDXEOCFUFBPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N3O2/c17-12-2-1-3-13(16(12)18)20-6-8-21(9-7-20)15(23)10-11-4-5-14(22)19-11/h1-3,11H,4-10H2,(H,19,22).
What are the key properties of 5-[2-[4-(2,3-difluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidin-2-one?
5-[2-[4-(2,3-difluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidin-2-one has a molecular weight of 323.34 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(2,3-difluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrrolidin-2-one is sourced from PubChem (CID 138034526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).