1-[3-(dimethylamino)propyl]-6-methylpiperazine-2,5-dione

C10H19N3O2 — CID 64960175

IUPAC1-[3-(dimethylamino)propyl]-6-methylpiperazine-2,5-dione
SMILESCC1C(=O)NCC(=O)N1CCCN(C)C
InChIInChI=1S/C10H19N3O2/c1-8-10(15)11-7-9(14)13(8)6-4-5-12(2)3/h8H,4-7H2,1-3H3,(H,11,15)
InChIKeyBRQUXUHMKAUXTJ-UHFFFAOYSA-N
MW213.28 g/mol
LogP-0.71
Rot. Bonds4

About 1-[3-(dimethylamino)propyl]-6-methylpiperazine-2,5-dione

1-[3-(dimethylamino)propyl]-6-methylpiperazine-2,5-dione (PubChem CID 64960175) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is 1-[3-(dimethylamino)propyl]-6-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[3-(dimethylamino)propyl]-6-methylpiperazine-2,5-dione
PubChem CID64960175
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name1-[3-(dimethylamino)propyl]-6-methylpiperazine-2,5-dione
SMILESCC1C(=O)NCC(=O)N1CCCN(C)C
InChIInChI=1S/C10H19N3O2/c1-8-10(15)11-7-9(14)13(8)6-4-5-12(2)3/h8H,4-7H2,1-3H3,(H,11,15)
InChIKeyBRQUXUHMKAUXTJ-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

Analyze 1-[3-(dimethylamino)propyl]-6-methylpiperazine-2,5-dione with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)propyl]-6-methylpiperazine-2,5-dione?
The IUPAC name of 1-[3-(dimethylamino)propyl]-6-methylpiperazine-2,5-dione (CID 64960175) is 1-[3-(dimethylamino)propyl]-6-methylpiperazine-2,5-dione.
What is the SMILES notation for 1-[3-(dimethylamino)propyl]-6-methylpiperazine-2,5-dione?
The canonical SMILES for 1-[3-(dimethylamino)propyl]-6-methylpiperazine-2,5-dione is CC1C(=O)NCC(=O)N1CCCN(C)C.
What is the InChIKey of 1-[3-(dimethylamino)propyl]-6-methylpiperazine-2,5-dione?
The InChIKey is BRQUXUHMKAUXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-8-10(15)11-7-9(14)13(8)6-4-5-12(2)3/h8H,4-7H2,1-3H3,(H,11,15).
What are the key properties of 1-[3-(dimethylamino)propyl]-6-methylpiperazine-2,5-dione?
1-[3-(dimethylamino)propyl]-6-methylpiperazine-2,5-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-[3-(dimethylamino)propyl]-6-methylpiperazine-2,5-dione is sourced from PubChem (CID 64960175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).