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

C20H21FN4O3 — CID 129030935

IUPAC4-[(3R)-1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-1-(5-hydroxy-2-pyridinyl)piperazin-2-one
SMILESO=C1[C@H](N2CCN(c3ccc(O)cn3)C(=O)C2)CCN1Cc1ccc(F)cc1
InChIInChI=1S/C20H21FN4O3/c21-15-3-1-14(2-4-15)12-24-8-7-17(20(24)28)23-9-10-25(19(27)13-23)18-6-5-16(26)11-22-18/h1-6,11,17,26H,7-10,12-13H2/t17-/m1/s1
InChIKeyPIQVUYPPSVPJIY-QGZVFWFLSA-N
MW384.41 g/mol
LogP1.38
Rot. Bonds4

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

4-[(3R)-1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-1-(5-hydroxy-2-pyridinyl)piperazin-2-one (PubChem CID 129030935) has the molecular formula C20H21FN4O3 and a molecular weight of 384.41 g/mol. Its IUPAC name is 4-[(3R)-1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-1-(5-hydroxy-2-pyridinyl)piperazin-2-one.

Molecular Properties

Compound Name4-[(3R)-1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-1-(5-hydroxy-2-pyridinyl)piperazin-2-one
PubChem CID129030935
Molecular FormulaC20H21FN4O3
Molecular Weight384.41 g/mol
Exact Mass384.16
IUPAC Name4-[(3R)-1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-1-(5-hydroxy-2-pyridinyl)piperazin-2-one
SMILESO=C1[C@H](N2CCN(c3ccc(O)cn3)C(=O)C2)CCN1Cc1ccc(F)cc1
InChIInChI=1S/C20H21FN4O3/c21-15-3-1-14(2-4-15)12-24-8-7-17(20(24)28)23-9-10-25(19(27)13-23)18-6-5-16(26)11-22-18/h1-6,11,17,26H,7-10,12-13H2/t17-/m1/s1
InChIKeyPIQVUYPPSVPJIY-QGZVFWFLSA-N
XLogP1.38
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-1-(5-hydroxy-2-pyridinyl)piperazin-2-one?
The IUPAC name of 4-[(3R)-1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-1-(5-hydroxy-2-pyridinyl)piperazin-2-one (CID 129030935) is 4-[(3R)-1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-1-(5-hydroxy-2-pyridinyl)piperazin-2-one.
What is the SMILES notation for 4-[(3R)-1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-1-(5-hydroxy-2-pyridinyl)piperazin-2-one?
The canonical SMILES for 4-[(3R)-1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-1-(5-hydroxy-2-pyridinyl)piperazin-2-one is O=C1[C@H](N2CCN(c3ccc(O)cn3)C(=O)C2)CCN1Cc1ccc(F)cc1.
What is the InChIKey of 4-[(3R)-1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-1-(5-hydroxy-2-pyridinyl)piperazin-2-one?
The InChIKey is PIQVUYPPSVPJIY-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H21FN4O3/c21-15-3-1-14(2-4-15)12-24-8-7-17(20(24)28)23-9-10-25(19(27)13-23)18-6-5-16(26)11-22-18/h1-6,11,17,26H,7-10,12-13H2/t17-/m1/s1.
What are the key properties of 4-[(3R)-1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-1-(5-hydroxy-2-pyridinyl)piperazin-2-one?
4-[(3R)-1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-1-(5-hydroxy-2-pyridinyl)piperazin-2-one has a molecular weight of 384.41 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-1-(5-hydroxy-2-pyridinyl)piperazin-2-one is sourced from PubChem (CID 129030935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).