1-butan-2-yl-3-[(4-methylpiperazin-1-yl)amino]pyrrolidine-2,5-dione

C13H24N4O2 — CID 83014747

IUPAC1-butan-2-yl-3-[(4-methylpiperazin-1-yl)amino]pyrrolidine-2,5-dione
SMILESCCC(C)N1C(=O)CC(NN2CCN(C)CC2)C1=O
InChIInChI=1S/C13H24N4O2/c1-4-10(2)17-12(18)9-11(13(17)19)14-16-7-5-15(3)6-8-16/h10-11,14H,4-9H2,1-3H3
InChIKeyWKNASUJSMLCXAW-UHFFFAOYSA-N
MW268.36 g/mol
LogP-0.34
Rot. Bonds4

About 1-butan-2-yl-3-[(4-methylpiperazin-1-yl)amino]pyrrolidine-2,5-dione

1-butan-2-yl-3-[(4-methylpiperazin-1-yl)amino]pyrrolidine-2,5-dione (PubChem CID 83014747) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-butan-2-yl-3-[(4-methylpiperazin-1-yl)amino]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-butan-2-yl-3-[(4-methylpiperazin-1-yl)amino]pyrrolidine-2,5-dione
PubChem CID83014747
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name1-butan-2-yl-3-[(4-methylpiperazin-1-yl)amino]pyrrolidine-2,5-dione
SMILESCCC(C)N1C(=O)CC(NN2CCN(C)CC2)C1=O
InChIInChI=1S/C13H24N4O2/c1-4-10(2)17-12(18)9-11(13(17)19)14-16-7-5-15(3)6-8-16/h10-11,14H,4-9H2,1-3H3
InChIKeyWKNASUJSMLCXAW-UHFFFAOYSA-N
XLogP-0.34
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)amino]propanoate
CID 54960207
1-butan-2-yl-3-(3-pyrrolidin-1-ylpropylamino)pyrrolidine-2,5-dione
CID 62991310
1-cyclopropyl-3-[(4-methylpiperazin-1-yl)amino]pyrrolidine-2,5-dione
CID 83014327
1-butan-2-yl-3-(1-methylsulfanylpropan-2-ylamino)pyrrolidine-2,5-dione
CID 113472748
1-butan-2-yl-3-(2,3-dihydro-1H-inden-2-ylamino)pyrrolidine-2,5-dione
CID 107851903
1-butan-2-yl-3-[(1-methylcyclopentyl)amino]pyrrolidine-2,5-dione
CID 61366170
1-butan-2-yl-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]pyrrolidine-2,5-dione
CID 62117125
1-cyclopentyl-3-[(4-methylpiperazin-1-yl)amino]pyrrolidine-2,5-dione
CID 83014220
2-[(1-butan-2-yl-2,5-dioxopyrrolidin-3-yl)amino]-N-methylpropanamide
CID 54950819
1-butan-2-yl-3-(2-cyclopentylethylamino)pyrrolidine-2,5-dione
CID 54932695
1-butan-2-yl-3-(cyclohexylmethylamino)pyrrolidine-2,5-dione
CID 43638288
1-butan-2-yl-3-[(1-methyl-6-oxo-3-pyridinyl)amino]pyrrolidine-2,5-dione
CID 60933145

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-3-[(4-methylpiperazin-1-yl)amino]pyrrolidine-2,5-dione?
The IUPAC name of 1-butan-2-yl-3-[(4-methylpiperazin-1-yl)amino]pyrrolidine-2,5-dione (CID 83014747) is 1-butan-2-yl-3-[(4-methylpiperazin-1-yl)amino]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-butan-2-yl-3-[(4-methylpiperazin-1-yl)amino]pyrrolidine-2,5-dione?
The canonical SMILES for 1-butan-2-yl-3-[(4-methylpiperazin-1-yl)amino]pyrrolidine-2,5-dione is CCC(C)N1C(=O)CC(NN2CCN(C)CC2)C1=O.
What is the InChIKey of 1-butan-2-yl-3-[(4-methylpiperazin-1-yl)amino]pyrrolidine-2,5-dione?
The InChIKey is WKNASUJSMLCXAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-4-10(2)17-12(18)9-11(13(17)19)14-16-7-5-15(3)6-8-16/h10-11,14H,4-9H2,1-3H3.
What are the key properties of 1-butan-2-yl-3-[(4-methylpiperazin-1-yl)amino]pyrrolidine-2,5-dione?
1-butan-2-yl-3-[(4-methylpiperazin-1-yl)amino]pyrrolidine-2,5-dione has a molecular weight of 268.36 g/mol, XLogP of -0.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-3-[(4-methylpiperazin-1-yl)amino]pyrrolidine-2,5-dione is sourced from PubChem (CID 83014747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).