1-(2-butoxyethyl)-6-cyclopropyl-3,6-dimethylpiperazine-2,5-dione

C15H26N2O3 — CID 64874522

IUPAC1-(2-butoxyethyl)-6-cyclopropyl-3,6-dimethylpiperazine-2,5-dione
SMILESCCCCOCCN1C(=O)C(C)NC(=O)C1(C)C1CC1
InChIInChI=1S/C15H26N2O3/c1-4-5-9-20-10-8-17-13(18)11(2)16-14(19)15(17,3)12-6-7-12/h11-12H,4-10H2,1-3H3,(H,16,19)
InChIKeyIPXPKXPESXNXFN-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.32
Rot. Bonds7

About 1-(2-butoxyethyl)-6-cyclopropyl-3,6-dimethylpiperazine-2,5-dione

1-(2-butoxyethyl)-6-cyclopropyl-3,6-dimethylpiperazine-2,5-dione (PubChem CID 64874522) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 1-(2-butoxyethyl)-6-cyclopropyl-3,6-dimethylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(2-butoxyethyl)-6-cyclopropyl-3,6-dimethylpiperazine-2,5-dione
PubChem CID64874522
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name1-(2-butoxyethyl)-6-cyclopropyl-3,6-dimethylpiperazine-2,5-dione
SMILESCCCCOCCN1C(=O)C(C)NC(=O)C1(C)C1CC1
InChIInChI=1S/C15H26N2O3/c1-4-5-9-20-10-8-17-13(18)11(2)16-14(19)15(17,3)12-6-7-12/h11-12H,4-10H2,1-3H3,(H,16,19)
InChIKeyIPXPKXPESXNXFN-UHFFFAOYSA-N
XLogP1.32
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(2-butoxyethyl)-6-cyclopropyl-3,6-dimethylpiperazine-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

Related Compounds

6-cyclopropyl-1-(3-ethylsulfonylpropyl)-3,6-dimethylpiperazine-2,5-dione
CID 65096606
6-cyclopropyl-3,6-dimethyl-1-(4-methylpentyl)piperazine-2,5-dione
CID 83168999
6-cyclopropyl-3,6-dimethyl-1-(3-methylbutyl)piperazine-2,5-dione
CID 64874919
1-(2-ethoxyethyl)-3,6,6-trimethylpiperazine-2,5-dione
CID 64873314
6-cyclopropyl-3-ethyl-1-(2-methoxyethyl)-6-methylpiperazine-2,5-dione
CID 64903218
6,6-diethyl-1-[2-(3-methoxypropoxy)ethyl]-3-methylpiperazine-2,5-dione
CID 103184637
6-cyclopropyl-3,6-dimethyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,5-dione
CID 65170196
6-cyclopropyl-3,6-dimethyl-1-pentan-2-ylpiperazine-2,5-dione
CID 107888784
6-cyclopropyl-3,6-dimethyl-1-(3-methylbut-2-enyl)piperazine-2,5-dione
CID 107902022
3-butan-2-yl-6-cyclopropyl-1-(3-methoxypropyl)-6-methylpiperazine-2,5-dione
CID 64901198
3-(2-butoxyethyl)-5-methylimidazolidin-4-one
CID 83253163
1-butyl-3,6-dicyclopropyl-3,6-dimethylpiperazine-2,5-dione
CID 64885387

Frequently Asked Questions

What is the IUPAC name of 1-(2-butoxyethyl)-6-cyclopropyl-3,6-dimethylpiperazine-2,5-dione?
The IUPAC name of 1-(2-butoxyethyl)-6-cyclopropyl-3,6-dimethylpiperazine-2,5-dione (CID 64874522) is 1-(2-butoxyethyl)-6-cyclopropyl-3,6-dimethylpiperazine-2,5-dione.
What is the SMILES notation for 1-(2-butoxyethyl)-6-cyclopropyl-3,6-dimethylpiperazine-2,5-dione?
The canonical SMILES for 1-(2-butoxyethyl)-6-cyclopropyl-3,6-dimethylpiperazine-2,5-dione is CCCCOCCN1C(=O)C(C)NC(=O)C1(C)C1CC1.
What is the InChIKey of 1-(2-butoxyethyl)-6-cyclopropyl-3,6-dimethylpiperazine-2,5-dione?
The InChIKey is IPXPKXPESXNXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-4-5-9-20-10-8-17-13(18)11(2)16-14(19)15(17,3)12-6-7-12/h11-12H,4-10H2,1-3H3,(H,16,19).
What are the key properties of 1-(2-butoxyethyl)-6-cyclopropyl-3,6-dimethylpiperazine-2,5-dione?
1-(2-butoxyethyl)-6-cyclopropyl-3,6-dimethylpiperazine-2,5-dione has a molecular weight of 282.38 g/mol, XLogP of 1.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butoxyethyl)-6-cyclopropyl-3,6-dimethylpiperazine-2,5-dione is sourced from PubChem (CID 64874522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).