1-[2-(4-methylpiperazin-1-yl)acetyl]pyrrolidin-2-one

C11H19N3O2 — CID 667777

IUPAC1-[2-(4-methylpiperazin-1-yl)acetyl]pyrrolidin-2-one
SMILESCN1CCN(CC(=O)N2CCCC2=O)CC1
InChIInChI=1S/C11H19N3O2/c1-12-5-7-13(8-6-12)9-11(16)14-4-2-3-10(14)15/h2-9H2,1H3
InChIKeyPBKOCZBEAOVQQP-UHFFFAOYSA-N
MW225.29 g/mol
LogP-0.62
Rot. Bonds2

About 1-[2-(4-methylpiperazin-1-yl)acetyl]pyrrolidin-2-one

1-[2-(4-methylpiperazin-1-yl)acetyl]pyrrolidin-2-one (PubChem CID 667777) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-[2-(4-methylpiperazin-1-yl)acetyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(4-methylpiperazin-1-yl)acetyl]pyrrolidin-2-one
PubChem CID667777
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name1-[2-(4-methylpiperazin-1-yl)acetyl]pyrrolidin-2-one
SMILESCN1CCN(CC(=O)N2CCCC2=O)CC1
InChIInChI=1S/C11H19N3O2/c1-12-5-7-13(8-6-12)9-11(16)14-4-2-3-10(14)15/h2-9H2,1H3
InChIKeyPBKOCZBEAOVQQP-UHFFFAOYSA-N
XLogP-0.62
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 5-0.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylpiperazin-1-yl)acetyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-(4-methylpiperazin-1-yl)acetyl]pyrrolidin-2-one (CID 667777) is 1-[2-(4-methylpiperazin-1-yl)acetyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-(4-methylpiperazin-1-yl)acetyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-(4-methylpiperazin-1-yl)acetyl]pyrrolidin-2-one is CN1CCN(CC(=O)N2CCCC2=O)CC1.
What is the InChIKey of 1-[2-(4-methylpiperazin-1-yl)acetyl]pyrrolidin-2-one?
The InChIKey is PBKOCZBEAOVQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-12-5-7-13(8-6-12)9-11(16)14-4-2-3-10(14)15/h2-9H2,1H3.
What are the key properties of 1-[2-(4-methylpiperazin-1-yl)acetyl]pyrrolidin-2-one?
1-[2-(4-methylpiperazin-1-yl)acetyl]pyrrolidin-2-one has a molecular weight of 225.29 g/mol, XLogP of -0.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylpiperazin-1-yl)acetyl]pyrrolidin-2-one is sourced from PubChem (CID 667777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).