1-methyl-3-[(4-methylpiperazin-1-yl)amino]pyrrolidin-2-one

C10H20N4O — CID 83022109

IUPAC1-methyl-3-[(4-methylpiperazin-1-yl)amino]pyrrolidin-2-one
SMILESCN1CCN(NC2CCN(C)C2=O)CC1
InChIInChI=1S/C10H20N4O/c1-12-5-7-14(8-6-12)11-9-3-4-13(2)10(9)15/h9,11H,3-8H2,1-2H3
InChIKeyAENRDSWYNFGFDS-UHFFFAOYSA-N
MW212.30 g/mol
LogP-1.03
Rot. Bonds2

About 1-methyl-3-[(4-methylpiperazin-1-yl)amino]pyrrolidin-2-one

1-methyl-3-[(4-methylpiperazin-1-yl)amino]pyrrolidin-2-one (PubChem CID 83022109) has the molecular formula C10H20N4O and a molecular weight of 212.30 g/mol. Its IUPAC name is 1-methyl-3-[(4-methylpiperazin-1-yl)amino]pyrrolidin-2-one.

Molecular Properties

Compound Name1-methyl-3-[(4-methylpiperazin-1-yl)amino]pyrrolidin-2-one
PubChem CID83022109
Molecular FormulaC10H20N4O
Molecular Weight212.30 g/mol
Exact Mass212.16
IUPAC Name1-methyl-3-[(4-methylpiperazin-1-yl)amino]pyrrolidin-2-one
SMILESCN1CCN(NC2CCN(C)C2=O)CC1
InChIInChI=1S/C10H20N4O/c1-12-5-7-14(8-6-12)11-9-3-4-13(2)10(9)15/h9,11H,3-8H2,1-2H3
InChIKeyAENRDSWYNFGFDS-UHFFFAOYSA-N
XLogP-1.03
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 5-1.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(4-methylpiperazin-1-yl)amino]pyrrolidin-2-one?
The IUPAC name of 1-methyl-3-[(4-methylpiperazin-1-yl)amino]pyrrolidin-2-one (CID 83022109) is 1-methyl-3-[(4-methylpiperazin-1-yl)amino]pyrrolidin-2-one.
What is the SMILES notation for 1-methyl-3-[(4-methylpiperazin-1-yl)amino]pyrrolidin-2-one?
The canonical SMILES for 1-methyl-3-[(4-methylpiperazin-1-yl)amino]pyrrolidin-2-one is CN1CCN(NC2CCN(C)C2=O)CC1.
What is the InChIKey of 1-methyl-3-[(4-methylpiperazin-1-yl)amino]pyrrolidin-2-one?
The InChIKey is AENRDSWYNFGFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O/c1-12-5-7-14(8-6-12)11-9-3-4-13(2)10(9)15/h9,11H,3-8H2,1-2H3.
What are the key properties of 1-methyl-3-[(4-methylpiperazin-1-yl)amino]pyrrolidin-2-one?
1-methyl-3-[(4-methylpiperazin-1-yl)amino]pyrrolidin-2-one has a molecular weight of 212.30 g/mol, XLogP of -1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(4-methylpiperazin-1-yl)amino]pyrrolidin-2-one is sourced from PubChem (CID 83022109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).