1-benzyl-3-methyl-4-(4-methylpiperazin-1-yl)pyrrolidin-2-one

C17H25N3O — CID 67896341

IUPAC1-benzyl-3-methyl-4-(4-methylpiperazin-1-yl)pyrrolidin-2-one
SMILESCC1C(=O)N(Cc2ccccc2)CC1N1CCN(C)CC1
InChIInChI=1S/C17H25N3O/c1-14-16(19-10-8-18(2)9-11-19)13-20(17(14)21)12-15-6-4-3-5-7-15/h3-7,14,16H,8-13H2,1-2H3
InChIKeyOJFYYIRAWTZYCM-UHFFFAOYSA-N
MW287.41 g/mol
LogP1.28
Rot. Bonds3

About 1-benzyl-3-methyl-4-(4-methylpiperazin-1-yl)pyrrolidin-2-one

1-benzyl-3-methyl-4-(4-methylpiperazin-1-yl)pyrrolidin-2-one (PubChem CID 67896341) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 1-benzyl-3-methyl-4-(4-methylpiperazin-1-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-benzyl-3-methyl-4-(4-methylpiperazin-1-yl)pyrrolidin-2-one
PubChem CID67896341
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name1-benzyl-3-methyl-4-(4-methylpiperazin-1-yl)pyrrolidin-2-one
SMILESCC1C(=O)N(Cc2ccccc2)CC1N1CCN(C)CC1
InChIInChI=1S/C17H25N3O/c1-14-16(19-10-8-18(2)9-11-19)13-20(17(14)21)12-15-6-4-3-5-7-15/h3-7,14,16H,8-13H2,1-2H3
InChIKeyOJFYYIRAWTZYCM-UHFFFAOYSA-N
XLogP1.28
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-methyl-4-(4-methylpiperazin-1-yl)pyrrolidin-2-one?
The IUPAC name of 1-benzyl-3-methyl-4-(4-methylpiperazin-1-yl)pyrrolidin-2-one (CID 67896341) is 1-benzyl-3-methyl-4-(4-methylpiperazin-1-yl)pyrrolidin-2-one.
What is the SMILES notation for 1-benzyl-3-methyl-4-(4-methylpiperazin-1-yl)pyrrolidin-2-one?
The canonical SMILES for 1-benzyl-3-methyl-4-(4-methylpiperazin-1-yl)pyrrolidin-2-one is CC1C(=O)N(Cc2ccccc2)CC1N1CCN(C)CC1.
What is the InChIKey of 1-benzyl-3-methyl-4-(4-methylpiperazin-1-yl)pyrrolidin-2-one?
The InChIKey is OJFYYIRAWTZYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-14-16(19-10-8-18(2)9-11-19)13-20(17(14)21)12-15-6-4-3-5-7-15/h3-7,14,16H,8-13H2,1-2H3.
What are the key properties of 1-benzyl-3-methyl-4-(4-methylpiperazin-1-yl)pyrrolidin-2-one?
1-benzyl-3-methyl-4-(4-methylpiperazin-1-yl)pyrrolidin-2-one has a molecular weight of 287.41 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-methyl-4-(4-methylpiperazin-1-yl)pyrrolidin-2-one is sourced from PubChem (CID 67896341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).