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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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).