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

C10H19N3O — CID 4737449

IUPAC1-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-2-one
SMILESCN1CCN(CN2CCCC2=O)CC1
InChIInChI=1S/C10H19N3O/c1-11-5-7-12(8-6-11)9-13-4-2-3-10(13)14/h2-9H2,1H3
InChIKeyKBBNWWPYCMYUQD-UHFFFAOYSA-N
MW197.28 g/mol
LogP-0.19
Rot. Bonds2

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

1-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-2-one (PubChem CID 4737449) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-2-one
PubChem CID4737449
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name1-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-2-one
SMILESCN1CCN(CN2CCCC2=O)CC1
InChIInChI=1S/C10H19N3O/c1-11-5-7-12(8-6-11)9-13-4-2-3-10(13)14/h2-9H2,1H3
InChIKeyKBBNWWPYCMYUQD-UHFFFAOYSA-N
XLogP-0.19
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 5-0.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-2-one?
The IUPAC name of 1-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-2-one (CID 4737449) is 1-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-2-one is CN1CCN(CN2CCCC2=O)CC1.
What is the InChIKey of 1-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-2-one?
The InChIKey is KBBNWWPYCMYUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-11-5-7-12(8-6-11)9-13-4-2-3-10(13)14/h2-9H2,1H3.
What are the key properties of 1-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-2-one?
1-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-2-one has a molecular weight of 197.28 g/mol, XLogP of -0.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 4737449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).