4-amino-1,2-diethyl-5-(4-methylpiperazin-1-yl)pyrrolidin-3-one

C13H26N4O — CID 141080426

IUPAC4-amino-1,2-diethyl-5-(4-methylpiperazin-1-yl)pyrrolidin-3-one
SMILESCCC1C(=O)C(N)C(N2CCN(C)CC2)N1CC
InChIInChI=1S/C13H26N4O/c1-4-10-12(18)11(14)13(17(10)5-2)16-8-6-15(3)7-9-16/h10-11,13H,4-9,14H2,1-3H3
InChIKeyUKMRSROBMVMMPW-UHFFFAOYSA-N
MW254.38 g/mol
LogP-0.43
Rot. Bonds3

About 4-amino-1,2-diethyl-5-(4-methylpiperazin-1-yl)pyrrolidin-3-one

4-amino-1,2-diethyl-5-(4-methylpiperazin-1-yl)pyrrolidin-3-one (PubChem CID 141080426) has the molecular formula C13H26N4O and a molecular weight of 254.38 g/mol. Its IUPAC name is 4-amino-1,2-diethyl-5-(4-methylpiperazin-1-yl)pyrrolidin-3-one.

Molecular Properties

Compound Name4-amino-1,2-diethyl-5-(4-methylpiperazin-1-yl)pyrrolidin-3-one
PubChem CID141080426
Molecular FormulaC13H26N4O
Molecular Weight254.38 g/mol
Exact Mass254.21
IUPAC Name4-amino-1,2-diethyl-5-(4-methylpiperazin-1-yl)pyrrolidin-3-one
SMILESCCC1C(=O)C(N)C(N2CCN(C)CC2)N1CC
InChIInChI=1S/C13H26N4O/c1-4-10-12(18)11(14)13(17(10)5-2)16-8-6-15(3)7-9-16/h10-11,13H,4-9,14H2,1-3H3
InChIKeyUKMRSROBMVMMPW-UHFFFAOYSA-N
XLogP-0.43
TPSA52.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1,2-diethyl-5-(4-methylpiperazin-1-yl)pyrrolidin-3-one?
The IUPAC name of 4-amino-1,2-diethyl-5-(4-methylpiperazin-1-yl)pyrrolidin-3-one (CID 141080426) is 4-amino-1,2-diethyl-5-(4-methylpiperazin-1-yl)pyrrolidin-3-one.
What is the SMILES notation for 4-amino-1,2-diethyl-5-(4-methylpiperazin-1-yl)pyrrolidin-3-one?
The canonical SMILES for 4-amino-1,2-diethyl-5-(4-methylpiperazin-1-yl)pyrrolidin-3-one is CCC1C(=O)C(N)C(N2CCN(C)CC2)N1CC.
What is the InChIKey of 4-amino-1,2-diethyl-5-(4-methylpiperazin-1-yl)pyrrolidin-3-one?
The InChIKey is UKMRSROBMVMMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O/c1-4-10-12(18)11(14)13(17(10)5-2)16-8-6-15(3)7-9-16/h10-11,13H,4-9,14H2,1-3H3.
What are the key properties of 4-amino-1,2-diethyl-5-(4-methylpiperazin-1-yl)pyrrolidin-3-one?
4-amino-1,2-diethyl-5-(4-methylpiperazin-1-yl)pyrrolidin-3-one has a molecular weight of 254.38 g/mol, XLogP of -0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1,2-diethyl-5-(4-methylpiperazin-1-yl)pyrrolidin-3-one is sourced from PubChem (CID 141080426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).