1-benzyl-4-[2-(4-oxo-1-pyridinyl)acetyl]piperazin-2-one

C18H19N3O3 — CID 91841443

IUPAC1-benzyl-4-[2-(4-oxo-1-pyridinyl)acetyl]piperazin-2-one
SMILESO=C(Cn1ccc(=O)cc1)N1CCN(Cc2ccccc2)C(=O)C1
InChIInChI=1S/C18H19N3O3/c22-16-6-8-19(9-7-16)13-17(23)21-11-10-20(18(24)14-21)12-15-4-2-1-3-5-15/h1-9H,10-14H2
InChIKeyGYAUAYHRRSCJMF-UHFFFAOYSA-N
MW325.37 g/mol
LogP0.72
Rot. Bonds4

About 1-benzyl-4-[2-(4-oxo-1-pyridinyl)acetyl]piperazin-2-one

1-benzyl-4-[2-(4-oxo-1-pyridinyl)acetyl]piperazin-2-one (PubChem CID 91841443) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 1-benzyl-4-[2-(4-oxo-1-pyridinyl)acetyl]piperazin-2-one.

Molecular Properties

Compound Name1-benzyl-4-[2-(4-oxo-1-pyridinyl)acetyl]piperazin-2-one
PubChem CID91841443
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name1-benzyl-4-[2-(4-oxo-1-pyridinyl)acetyl]piperazin-2-one
SMILESO=C(Cn1ccc(=O)cc1)N1CCN(Cc2ccccc2)C(=O)C1
InChIInChI=1S/C18H19N3O3/c22-16-6-8-19(9-7-16)13-17(23)21-11-10-20(18(24)14-21)12-15-4-2-1-3-5-15/h1-9H,10-14H2
InChIKeyGYAUAYHRRSCJMF-UHFFFAOYSA-N
XLogP0.72
TPSA62.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[2-(4-oxo-1-pyridinyl)acetyl]piperazin-2-one?
The IUPAC name of 1-benzyl-4-[2-(4-oxo-1-pyridinyl)acetyl]piperazin-2-one (CID 91841443) is 1-benzyl-4-[2-(4-oxo-1-pyridinyl)acetyl]piperazin-2-one.
What is the SMILES notation for 1-benzyl-4-[2-(4-oxo-1-pyridinyl)acetyl]piperazin-2-one?
The canonical SMILES for 1-benzyl-4-[2-(4-oxo-1-pyridinyl)acetyl]piperazin-2-one is O=C(Cn1ccc(=O)cc1)N1CCN(Cc2ccccc2)C(=O)C1.
What is the InChIKey of 1-benzyl-4-[2-(4-oxo-1-pyridinyl)acetyl]piperazin-2-one?
The InChIKey is GYAUAYHRRSCJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c22-16-6-8-19(9-7-16)13-17(23)21-11-10-20(18(24)14-21)12-15-4-2-1-3-5-15/h1-9H,10-14H2.
What are the key properties of 1-benzyl-4-[2-(4-oxo-1-pyridinyl)acetyl]piperazin-2-one?
1-benzyl-4-[2-(4-oxo-1-pyridinyl)acetyl]piperazin-2-one has a molecular weight of 325.37 g/mol, XLogP of 0.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[2-(4-oxo-1-pyridinyl)acetyl]piperazin-2-one is sourced from PubChem (CID 91841443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).