3-cyclopropyl-1-(4-methoxybutan-2-yl)piperazine-2,5-dione

C12H20N2O3 — CID 64972991

IUPAC3-cyclopropyl-1-(4-methoxybutan-2-yl)piperazine-2,5-dione
SMILESCOCCC(C)N1CC(=O)NC(C2CC2)C1=O
InChIInChI=1S/C12H20N2O3/c1-8(5-6-17-2)14-7-10(15)13-11(12(14)16)9-3-4-9/h8-9,11H,3-7H2,1-2H3,(H,13,15)
InChIKeyDOUAYTGZASAYQP-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.15
Rot. Bonds5

About 3-cyclopropyl-1-(4-methoxybutan-2-yl)piperazine-2,5-dione

3-cyclopropyl-1-(4-methoxybutan-2-yl)piperazine-2,5-dione (PubChem CID 64972991) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 3-cyclopropyl-1-(4-methoxybutan-2-yl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-cyclopropyl-1-(4-methoxybutan-2-yl)piperazine-2,5-dione
PubChem CID64972991
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name3-cyclopropyl-1-(4-methoxybutan-2-yl)piperazine-2,5-dione
SMILESCOCCC(C)N1CC(=O)NC(C2CC2)C1=O
InChIInChI=1S/C12H20N2O3/c1-8(5-6-17-2)14-7-10(15)13-11(12(14)16)9-3-4-9/h8-9,11H,3-7H2,1-2H3,(H,13,15)
InChIKeyDOUAYTGZASAYQP-UHFFFAOYSA-N
XLogP0.15
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopropyl-1-hexan-2-ylpiperazine-2,5-dione
CID 64969063
3-cyclopropyl-1-propan-2-ylpiperazine-2,5-dione
CID 64879421
3-cyclopropyl-1-(4-methoxybutan-2-yl)-6-(2-methylpropyl)piperazine-2,5-dione
CID 116500131
3-cyclopropyl-1-(3-methylbutan-2-yl)piperazine-2,5-dione
CID 64959665
1-(4-methoxybutan-2-yl)imidazolidine-2,4-dione
CID 79777028
3-cyclopropyl-1-pentan-3-ylpiperazine-2,5-dione
CID 64958301
8-cyclopropyl-6-(4-methoxybutan-2-yl)-6,9-diazaspiro[4.5]decane-7,10-dione
CID 116500137
3-cyclopropyl-1-(1-thiophen-3-ylpropan-2-yl)piperazine-2,5-dione
CID 64965061
3-ethyl-1-(4-methoxybutan-2-yl)-1,4-diazepane-2,5-dione
CID 64972967
3-cyclohexyl-1-pentan-2-yl-1,4-diazepane-2,5-dione
CID 64957202
3-cyclopropyl-1-(2-methylpropyl)piperazine-2,5-dione
CID 64881556
3-cyclopropyl-7-methyl-1-pentan-2-yl-1,4-diazepane-2,5-dione
CID 114013090

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(4-methoxybutan-2-yl)piperazine-2,5-dione?
The IUPAC name of 3-cyclopropyl-1-(4-methoxybutan-2-yl)piperazine-2,5-dione (CID 64972991) is 3-cyclopropyl-1-(4-methoxybutan-2-yl)piperazine-2,5-dione.
What is the SMILES notation for 3-cyclopropyl-1-(4-methoxybutan-2-yl)piperazine-2,5-dione?
The canonical SMILES for 3-cyclopropyl-1-(4-methoxybutan-2-yl)piperazine-2,5-dione is COCCC(C)N1CC(=O)NC(C2CC2)C1=O.
What is the InChIKey of 3-cyclopropyl-1-(4-methoxybutan-2-yl)piperazine-2,5-dione?
The InChIKey is DOUAYTGZASAYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-8(5-6-17-2)14-7-10(15)13-11(12(14)16)9-3-4-9/h8-9,11H,3-7H2,1-2H3,(H,13,15).
What are the key properties of 3-cyclopropyl-1-(4-methoxybutan-2-yl)piperazine-2,5-dione?
3-cyclopropyl-1-(4-methoxybutan-2-yl)piperazine-2,5-dione has a molecular weight of 240.30 g/mol, XLogP of 0.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(4-methoxybutan-2-yl)piperazine-2,5-dione is sourced from PubChem (CID 64972991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).