1-methyl-4-[3-(methylamino)butyl]piperazine-2,3-dione

C10H19N3O2 — CID 62927722

IUPAC1-methyl-4-[3-(methylamino)butyl]piperazine-2,3-dione
SMILESCNC(C)CCN1CCN(C)C(=O)C1=O
InChIInChI=1S/C10H19N3O2/c1-8(11-2)4-5-13-7-6-12(3)9(14)10(13)15/h8,11H,4-7H2,1-3H3
InChIKeyJFBOARCYILQXTN-UHFFFAOYSA-N
MW213.28 g/mol
LogP-0.71
Rot. Bonds4

About 1-methyl-4-[3-(methylamino)butyl]piperazine-2,3-dione

1-methyl-4-[3-(methylamino)butyl]piperazine-2,3-dione (PubChem CID 62927722) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is 1-methyl-4-[3-(methylamino)butyl]piperazine-2,3-dione.

Molecular Properties

Compound Name1-methyl-4-[3-(methylamino)butyl]piperazine-2,3-dione
PubChem CID62927722
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name1-methyl-4-[3-(methylamino)butyl]piperazine-2,3-dione
SMILESCNC(C)CCN1CCN(C)C(=O)C1=O
InChIInChI=1S/C10H19N3O2/c1-8(11-2)4-5-13-7-6-12(3)9(14)10(13)15/h8,11H,4-7H2,1-3H3
InChIKeyJFBOARCYILQXTN-UHFFFAOYSA-N
XLogP-0.71
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 5-0.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[3-(methylamino)butyl]piperazine-2,3-dione?
The IUPAC name of 1-methyl-4-[3-(methylamino)butyl]piperazine-2,3-dione (CID 62927722) is 1-methyl-4-[3-(methylamino)butyl]piperazine-2,3-dione.
What is the SMILES notation for 1-methyl-4-[3-(methylamino)butyl]piperazine-2,3-dione?
The canonical SMILES for 1-methyl-4-[3-(methylamino)butyl]piperazine-2,3-dione is CNC(C)CCN1CCN(C)C(=O)C1=O.
What is the InChIKey of 1-methyl-4-[3-(methylamino)butyl]piperazine-2,3-dione?
The InChIKey is JFBOARCYILQXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-8(11-2)4-5-13-7-6-12(3)9(14)10(13)15/h8,11H,4-7H2,1-3H3.
What are the key properties of 1-methyl-4-[3-(methylamino)butyl]piperazine-2,3-dione?
1-methyl-4-[3-(methylamino)butyl]piperazine-2,3-dione has a molecular weight of 213.28 g/mol, XLogP of -0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[3-(methylamino)butyl]piperazine-2,3-dione is sourced from PubChem (CID 62927722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).