1-methyl-4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazolidine-3,5-dione

C11H18N4O3 — CID 110703437

IUPAC1-methyl-4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazolidine-3,5-dione
SMILESCN1CCN(C(=O)CC2C(=O)NN(C)C2=O)CC1
InChIInChI=1S/C11H18N4O3/c1-13-3-5-15(6-4-13)9(16)7-8-10(17)12-14(2)11(8)18/h8H,3-7H2,1-2H3,(H,12,17)
InChIKeyCJWBGMNMENMOKQ-UHFFFAOYSA-N
MW254.29 g/mol
LogP-1.73
Rot. Bonds2

About 1-methyl-4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazolidine-3,5-dione

1-methyl-4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazolidine-3,5-dione (PubChem CID 110703437) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 1-methyl-4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazolidine-3,5-dione.

Molecular Properties

Compound Name1-methyl-4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazolidine-3,5-dione
PubChem CID110703437
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name1-methyl-4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazolidine-3,5-dione
SMILESCN1CCN(C(=O)CC2C(=O)NN(C)C2=O)CC1
InChIInChI=1S/C11H18N4O3/c1-13-3-5-15(6-4-13)9(16)7-8-10(17)12-14(2)11(8)18/h8H,3-7H2,1-2H3,(H,12,17)
InChIKeyCJWBGMNMENMOKQ-UHFFFAOYSA-N
XLogP-1.73
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-1.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_B(12)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 1-methyl-4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazolidine-3,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1-methylpyrazolidine-3,5-dione
CID 110703473
2-cyclobutyl-1-(4-methylpiperazin-1-yl)ethanone
CID 103706244
N-cyclopentyl-2-(1-methyl-3,5-dioxopyrazolidin-4-yl)acetamide
CID 110703425
1-(cyclopropylmethyl)-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperazin-2-one;hydrochloride
CID 110282647
1-(4-methylpiperazin-1-yl)-2-(1-methylpiperidin-2-yl)ethanone
CID 110849813
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-methyl-1,4-diazepan-1-yl)ethanone
CID 79607933
3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1-prop-2-enylpiperazin-2-one;hydrochloride
CID 110283038
2,5-dimethyl-4-(2-oxo-2-piperazin-1-ylethyl)-4H-pyrazol-3-one
CID 82511051
N-(3,5-dimethylphenyl)-2-(1-methyl-3,5-dioxopyrazolidin-4-yl)acetamide
CID 110703522
2-(1,4-dioxaspiro[4.5]decan-8-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 102852264
1-(4-methylpiperazin-1-yl)-2-(thian-3-yl)ethanone
CID 110849812
2-[4-(aminomethyl)cyclohexyl]-1-(4-methyl-1,4-diazepan-1-yl)ethanone
CID 63613057

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazolidine-3,5-dione?
The IUPAC name of 1-methyl-4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazolidine-3,5-dione (CID 110703437) is 1-methyl-4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazolidine-3,5-dione.
What is the SMILES notation for 1-methyl-4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazolidine-3,5-dione?
The canonical SMILES for 1-methyl-4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazolidine-3,5-dione is CN1CCN(C(=O)CC2C(=O)NN(C)C2=O)CC1.
What is the InChIKey of 1-methyl-4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazolidine-3,5-dione?
The InChIKey is CJWBGMNMENMOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-13-3-5-15(6-4-13)9(16)7-8-10(17)12-14(2)11(8)18/h8H,3-7H2,1-2H3,(H,12,17).
What are the key properties of 1-methyl-4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazolidine-3,5-dione?
1-methyl-4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazolidine-3,5-dione has a molecular weight of 254.29 g/mol, XLogP of -1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyrazolidine-3,5-dione is sourced from PubChem (CID 110703437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).