3-(4-amino-2-methylpiperidin-1-yl)-1-methylpyrrolidine-2,5-dione

C11H19N3O2 — CID 107358153

IUPAC3-(4-amino-2-methylpiperidin-1-yl)-1-methylpyrrolidine-2,5-dione
SMILESCC1CC(N)CCN1C1CC(=O)N(C)C1=O
InChIInChI=1S/C11H19N3O2/c1-7-5-8(12)3-4-14(7)9-6-10(15)13(2)11(9)16/h7-9H,3-6,12H2,1-2H3
InChIKeyMIIVAAOCSWPLCP-UHFFFAOYSA-N
MW225.29 g/mol
LogP-0.44
Rot. Bonds1

About 3-(4-amino-2-methylpiperidin-1-yl)-1-methylpyrrolidine-2,5-dione

3-(4-amino-2-methylpiperidin-1-yl)-1-methylpyrrolidine-2,5-dione (PubChem CID 107358153) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 3-(4-amino-2-methylpiperidin-1-yl)-1-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(4-amino-2-methylpiperidin-1-yl)-1-methylpyrrolidine-2,5-dione
PubChem CID107358153
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name3-(4-amino-2-methylpiperidin-1-yl)-1-methylpyrrolidine-2,5-dione
SMILESCC1CC(N)CCN1C1CC(=O)N(C)C1=O
InChIInChI=1S/C11H19N3O2/c1-7-5-8(12)3-4-14(7)9-6-10(15)13(2)11(9)16/h7-9H,3-6,12H2,1-2H3
InChIKeyMIIVAAOCSWPLCP-UHFFFAOYSA-N
XLogP-0.44
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-amino-2-methylpiperidin-1-yl)-1-methylpyrrolidine-2,5-dione?
The IUPAC name of 3-(4-amino-2-methylpiperidin-1-yl)-1-methylpyrrolidine-2,5-dione (CID 107358153) is 3-(4-amino-2-methylpiperidin-1-yl)-1-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(4-amino-2-methylpiperidin-1-yl)-1-methylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(4-amino-2-methylpiperidin-1-yl)-1-methylpyrrolidine-2,5-dione is CC1CC(N)CCN1C1CC(=O)N(C)C1=O.
What is the InChIKey of 3-(4-amino-2-methylpiperidin-1-yl)-1-methylpyrrolidine-2,5-dione?
The InChIKey is MIIVAAOCSWPLCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-7-5-8(12)3-4-14(7)9-6-10(15)13(2)11(9)16/h7-9H,3-6,12H2,1-2H3.
What are the key properties of 3-(4-amino-2-methylpiperidin-1-yl)-1-methylpyrrolidine-2,5-dione?
3-(4-amino-2-methylpiperidin-1-yl)-1-methylpyrrolidine-2,5-dione has a molecular weight of 225.29 g/mol, XLogP of -0.44, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-2-methylpiperidin-1-yl)-1-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 107358153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).