1-(3-fluoro-4-methylphenyl)-3-[4-(5-hydroxy-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one

C20H23FN4O2 — CID 129030911

IUPAC1-(3-fluoro-4-methylphenyl)-3-[4-(5-hydroxy-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one
SMILESCc1ccc(N2CCC(N3CCN(c4ccc(O)cn4)CC3)C2=O)cc1F
InChIInChI=1S/C20H23FN4O2/c1-14-2-3-15(12-17(14)21)25-7-6-18(20(25)27)23-8-10-24(11-9-23)19-5-4-16(26)13-22-19/h2-5,12-13,18,26H,6-11H2,1H3
InChIKeyFRZXFVBVQZNWKB-UHFFFAOYSA-N
MW370.43 g/mol
LogP2.16
Rot. Bonds3

About 1-(3-fluoro-4-methylphenyl)-3-[4-(5-hydroxy-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one

1-(3-fluoro-4-methylphenyl)-3-[4-(5-hydroxy-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one (PubChem CID 129030911) has the molecular formula C20H23FN4O2 and a molecular weight of 370.43 g/mol. Its IUPAC name is 1-(3-fluoro-4-methylphenyl)-3-[4-(5-hydroxy-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3-fluoro-4-methylphenyl)-3-[4-(5-hydroxy-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one
PubChem CID129030911
Molecular FormulaC20H23FN4O2
Molecular Weight370.43 g/mol
Exact Mass370.18
IUPAC Name1-(3-fluoro-4-methylphenyl)-3-[4-(5-hydroxy-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one
SMILESCc1ccc(N2CCC(N3CCN(c4ccc(O)cn4)CC3)C2=O)cc1F
InChIInChI=1S/C20H23FN4O2/c1-14-2-3-15(12-17(14)21)25-7-6-18(20(25)27)23-8-10-24(11-9-23)19-5-4-16(26)13-22-19/h2-5,12-13,18,26H,6-11H2,1H3
InChIKeyFRZXFVBVQZNWKB-UHFFFAOYSA-N
XLogP2.16
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methylphenyl)-3-[4-(5-hydroxy-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one?
The IUPAC name of 1-(3-fluoro-4-methylphenyl)-3-[4-(5-hydroxy-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one (CID 129030911) is 1-(3-fluoro-4-methylphenyl)-3-[4-(5-hydroxy-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-(3-fluoro-4-methylphenyl)-3-[4-(5-hydroxy-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one?
The canonical SMILES for 1-(3-fluoro-4-methylphenyl)-3-[4-(5-hydroxy-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one is Cc1ccc(N2CCC(N3CCN(c4ccc(O)cn4)CC3)C2=O)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methylphenyl)-3-[4-(5-hydroxy-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one?
The InChIKey is FRZXFVBVQZNWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O2/c1-14-2-3-15(12-17(14)21)25-7-6-18(20(25)27)23-8-10-24(11-9-23)19-5-4-16(26)13-22-19/h2-5,12-13,18,26H,6-11H2,1H3.
What are the key properties of 1-(3-fluoro-4-methylphenyl)-3-[4-(5-hydroxy-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one?
1-(3-fluoro-4-methylphenyl)-3-[4-(5-hydroxy-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one has a molecular weight of 370.43 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methylphenyl)-3-[4-(5-hydroxy-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one is sourced from PubChem (CID 129030911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).