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

C20H23FN4O2 — CID 129030930

IUPAC1-[(4-fluorophenyl)methyl]-3-[4-(5-hydroxy-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one
SMILESO=C1C(N2CCN(c3ccc(O)cn3)CC2)CCN1Cc1ccc(F)cc1
InChIInChI=1S/C20H23FN4O2/c21-16-3-1-15(2-4-16)14-25-8-7-18(20(25)27)23-9-11-24(12-10-23)19-6-5-17(26)13-22-19/h1-6,13,18,26H,7-12,14H2
InChIKeyHDHJJYXLUZXNAT-UHFFFAOYSA-N
MW370.43 g/mol
LogP1.85
Rot. Bonds4

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

1-[(4-fluorophenyl)methyl]-3-[4-(5-hydroxy-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one (PubChem CID 129030930) has the molecular formula C20H23FN4O2 and a molecular weight of 370.43 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-3-[4-(5-hydroxy-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-3-[4-(5-hydroxy-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one
PubChem CID129030930
Molecular FormulaC20H23FN4O2
Molecular Weight370.43 g/mol
Exact Mass370.18
IUPAC Name1-[(4-fluorophenyl)methyl]-3-[4-(5-hydroxy-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one
SMILESO=C1C(N2CCN(c3ccc(O)cn3)CC2)CCN1Cc1ccc(F)cc1
InChIInChI=1S/C20H23FN4O2/c21-16-3-1-15(2-4-16)14-25-8-7-18(20(25)27)23-9-11-24(12-10-23)19-6-5-17(26)13-22-19/h1-6,13,18,26H,7-12,14H2
InChIKeyHDHJJYXLUZXNAT-UHFFFAOYSA-N
XLogP1.85
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-3-[4-(5-hydroxy-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-3-[4-(5-hydroxy-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one (CID 129030930) is 1-[(4-fluorophenyl)methyl]-3-[4-(5-hydroxy-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-3-[4-(5-hydroxy-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-3-[4-(5-hydroxy-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one is O=C1C(N2CCN(c3ccc(O)cn3)CC2)CCN1Cc1ccc(F)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-3-[4-(5-hydroxy-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one?
The InChIKey is HDHJJYXLUZXNAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O2/c21-16-3-1-15(2-4-16)14-25-8-7-18(20(25)27)23-9-11-24(12-10-23)19-6-5-17(26)13-22-19/h1-6,13,18,26H,7-12,14H2.
What are the key properties of 1-[(4-fluorophenyl)methyl]-3-[4-(5-hydroxy-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one?
1-[(4-fluorophenyl)methyl]-3-[4-(5-hydroxy-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one has a molecular weight of 370.43 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-3-[4-(5-hydroxy-2-pyridinyl)piperazin-1-yl]pyrrolidin-2-one is sourced from PubChem (CID 129030930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).