1-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-[(4-methoxyphenyl)methyl]pyrazine-2,3-dione

C24H25N3O4 — CID 154884210

IUPAC1-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-[(4-methoxyphenyl)methyl]pyrazine-2,3-dione
SMILESCOc1ccc(Cn2ccn(CC3CC(=O)N(Cc4ccccc4)C3)c(=O)c2=O)cc1
InChIInChI=1S/C24H25N3O4/c1-31-21-9-7-19(8-10-21)14-25-11-12-26(24(30)23(25)29)16-20-13-22(28)27(17-20)15-18-5-3-2-4-6-18/h2-12,20H,13-17H2,1H3
InChIKeyHHBBFMXONRDRIY-UHFFFAOYSA-N
MW419.48 g/mol
LogP2.12
Rot. Bonds7

About 1-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-[(4-methoxyphenyl)methyl]pyrazine-2,3-dione

1-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-[(4-methoxyphenyl)methyl]pyrazine-2,3-dione (PubChem CID 154884210) has the molecular formula C24H25N3O4 and a molecular weight of 419.48 g/mol. Its IUPAC name is 1-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-[(4-methoxyphenyl)methyl]pyrazine-2,3-dione.

Molecular Properties

Compound Name1-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-[(4-methoxyphenyl)methyl]pyrazine-2,3-dione
PubChem CID154884210
Molecular FormulaC24H25N3O4
Molecular Weight419.48 g/mol
Exact Mass419.18
IUPAC Name1-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-[(4-methoxyphenyl)methyl]pyrazine-2,3-dione
SMILESCOc1ccc(Cn2ccn(CC3CC(=O)N(Cc4ccccc4)C3)c(=O)c2=O)cc1
InChIInChI=1S/C24H25N3O4/c1-31-21-9-7-19(8-10-21)14-25-11-12-26(24(30)23(25)29)16-20-13-22(28)27(17-20)15-18-5-3-2-4-6-18/h2-12,20H,13-17H2,1H3
InChIKeyHHBBFMXONRDRIY-UHFFFAOYSA-N
XLogP2.12
TPSA73.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-[(4-methoxyphenyl)methyl]pyrazine-2,3-dione?
The IUPAC name of 1-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-[(4-methoxyphenyl)methyl]pyrazine-2,3-dione (CID 154884210) is 1-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-[(4-methoxyphenyl)methyl]pyrazine-2,3-dione.
What is the SMILES notation for 1-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-[(4-methoxyphenyl)methyl]pyrazine-2,3-dione?
The canonical SMILES for 1-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-[(4-methoxyphenyl)methyl]pyrazine-2,3-dione is COc1ccc(Cn2ccn(CC3CC(=O)N(Cc4ccccc4)C3)c(=O)c2=O)cc1.
What is the InChIKey of 1-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-[(4-methoxyphenyl)methyl]pyrazine-2,3-dione?
The InChIKey is HHBBFMXONRDRIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4/c1-31-21-9-7-19(8-10-21)14-25-11-12-26(24(30)23(25)29)16-20-13-22(28)27(17-20)15-18-5-3-2-4-6-18/h2-12,20H,13-17H2,1H3.
What are the key properties of 1-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-[(4-methoxyphenyl)methyl]pyrazine-2,3-dione?
1-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-[(4-methoxyphenyl)methyl]pyrazine-2,3-dione has a molecular weight of 419.48 g/mol, XLogP of 2.12, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]-4-[(4-methoxyphenyl)methyl]pyrazine-2,3-dione is sourced from PubChem (CID 154884210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).