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

C12H22N4O2 — CID 69258410

IUPAC3-[4-(3-aminopropyl)-2-methylpiperazin-1-yl]pyrrolidine-2,5-dione
SMILESCC1CN(CCCN)CCN1C1CC(=O)NC1=O
InChIInChI=1S/C12H22N4O2/c1-9-8-15(4-2-3-13)5-6-16(9)10-7-11(17)14-12(10)18/h9-10H,2-8,13H2,1H3,(H,14,17,18)
InChIKeyRKFXMYOUMUWWRZ-UHFFFAOYSA-N
MW254.33 g/mol
LogP-1.24
Rot. Bonds4

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

3-[4-(3-aminopropyl)-2-methylpiperazin-1-yl]pyrrolidine-2,5-dione (PubChem CID 69258410) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 3-[4-(3-aminopropyl)-2-methylpiperazin-1-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[4-(3-aminopropyl)-2-methylpiperazin-1-yl]pyrrolidine-2,5-dione
PubChem CID69258410
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name3-[4-(3-aminopropyl)-2-methylpiperazin-1-yl]pyrrolidine-2,5-dione
SMILESCC1CN(CCCN)CCN1C1CC(=O)NC1=O
InChIInChI=1S/C12H22N4O2/c1-9-8-15(4-2-3-13)5-6-16(9)10-7-11(17)14-12(10)18/h9-10H,2-8,13H2,1H3,(H,14,17,18)
InChIKeyRKFXMYOUMUWWRZ-UHFFFAOYSA-N
XLogP-1.24
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 5-1.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methylpiperazin-1-yl)pyrrolidine-2,5-dione
CID 62673003
3-[4-(2-aminoethyl)-3-methylpiperazin-1-yl]propan-1-amine
CID 54370845
3-[(3S)-3-methylpiperazin-1-yl]pyrrolidine-2,5-dione
CID 104976660
5-[4-(4-aminobutyl)piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;dihydrochloride
CID 166428469
4-[4-[3-(3-aminopropoxy)propyl]piperazin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;dihydrochloride
CID 166428482
3-[6-[[4-(3-aminopropyl)piperazin-1-yl]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167740272
3-pyrrolidin-1-ylpyrrolidine-2,5-dione
CID 23170957
3-[(3S)-3-aminopyrrolidin-1-yl]pyrrolidine-2,5-dione
CID 115302325
3-[4-(3-aminopropyl)piperazin-1-yl]propan-1-amine;hydrochloride
CID 54610574
2-[(3R)-4-(2-aminoethyl)-3-methylpiperazin-1-yl]ethanamine
CID 129181309
3-[4-(2,5-dioxopyrrolidin-3-yl)-1,4-diazepan-1-yl]pyrrolidine-2,5-dione
CID 5093773
4-(3-aminopropyl)-3-methylpiperazin-2-one
CID 63594919

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-aminopropyl)-2-methylpiperazin-1-yl]pyrrolidine-2,5-dione?
The IUPAC name of 3-[4-(3-aminopropyl)-2-methylpiperazin-1-yl]pyrrolidine-2,5-dione (CID 69258410) is 3-[4-(3-aminopropyl)-2-methylpiperazin-1-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[4-(3-aminopropyl)-2-methylpiperazin-1-yl]pyrrolidine-2,5-dione?
The canonical SMILES for 3-[4-(3-aminopropyl)-2-methylpiperazin-1-yl]pyrrolidine-2,5-dione is CC1CN(CCCN)CCN1C1CC(=O)NC1=O.
What is the InChIKey of 3-[4-(3-aminopropyl)-2-methylpiperazin-1-yl]pyrrolidine-2,5-dione?
The InChIKey is RKFXMYOUMUWWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-9-8-15(4-2-3-13)5-6-16(9)10-7-11(17)14-12(10)18/h9-10H,2-8,13H2,1H3,(H,14,17,18).
What are the key properties of 3-[4-(3-aminopropyl)-2-methylpiperazin-1-yl]pyrrolidine-2,5-dione?
3-[4-(3-aminopropyl)-2-methylpiperazin-1-yl]pyrrolidine-2,5-dione has a molecular weight of 254.33 g/mol, XLogP of -1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-aminopropyl)-2-methylpiperazin-1-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 69258410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).