1-butan-2-yl-3-cyclopropyl-6-ethylpiperazine-2,5-dione

C13H22N2O2 — CID 64957501

IUPAC1-butan-2-yl-3-cyclopropyl-6-ethylpiperazine-2,5-dione
SMILESCCC(C)N1C(=O)C(C2CC2)NC(=O)C1CC
InChIInChI=1S/C13H22N2O2/c1-4-8(3)15-10(5-2)12(16)14-11(13(15)17)9-6-7-9/h8-11H,4-7H2,1-3H3,(H,14,16)
InChIKeyUJQIVFQFRBMVPT-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.30
Rot. Bonds4

About 1-butan-2-yl-3-cyclopropyl-6-ethylpiperazine-2,5-dione

1-butan-2-yl-3-cyclopropyl-6-ethylpiperazine-2,5-dione (PubChem CID 64957501) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-butan-2-yl-3-cyclopropyl-6-ethylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-butan-2-yl-3-cyclopropyl-6-ethylpiperazine-2,5-dione
PubChem CID64957501
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name1-butan-2-yl-3-cyclopropyl-6-ethylpiperazine-2,5-dione
SMILESCCC(C)N1C(=O)C(C2CC2)NC(=O)C1CC
InChIInChI=1S/C13H22N2O2/c1-4-8(3)15-10(5-2)12(16)14-11(13(15)17)9-6-7-9/h8-11H,4-7H2,1-3H3,(H,14,16)
InChIKeyUJQIVFQFRBMVPT-UHFFFAOYSA-N
XLogP1.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-butan-2-yl-3-cyclopropyl-6-ethylpiperazine-2,5-dione with MolForge

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Launch Full Analysis

Related Compounds

3-cyclopropyl-6-ethyl-1-pentan-2-ylpiperazine-2,5-dione
CID 64957333
3-cyclopropyl-6-ethyl-1-hexan-2-ylpiperazine-2,5-dione
CID 64968978
3-cyclopropyl-6-(2-methylpropyl)-1-propan-2-ylpiperazine-2,5-dione
CID 64886762
3-cyclopropyl-6-ethyl-1-[1-(5-methylfuran-2-yl)ethyl]piperazine-2,5-dione
CID 64965675
3-cyclopropyl-1-(4-methoxybutan-2-yl)-6-(2-methylpropyl)piperazine-2,5-dione
CID 116500131
3-cyclohexyl-6-ethyl-1-(2-methylbutyl)piperazine-2,5-dione
CID 64887564
1-cycloheptyl-3-cyclopropyl-6-ethylpiperazine-2,5-dione
CID 64959657
3-cyclopropyl-1-hexan-2-yl-6-methylpiperazine-2,5-dione
CID 64969099
3-cyclopropyl-6-methyl-1-propan-2-ylpiperazine-2,5-dione
CID 64885420
3-butan-2-yl-6-ethyl-1-(1-methoxypropan-2-yl)piperazine-2,5-dione
CID 64956689
3-cyclopropyl-1-(2-ethylbutyl)-6-propylpiperazine-2,5-dione
CID 82934654
3-cyclopropyl-1-(5-methylhexan-2-yl)-6-propan-2-ylpiperazine-2,5-dione
CID 64971527

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-3-cyclopropyl-6-ethylpiperazine-2,5-dione?
The IUPAC name of 1-butan-2-yl-3-cyclopropyl-6-ethylpiperazine-2,5-dione (CID 64957501) is 1-butan-2-yl-3-cyclopropyl-6-ethylpiperazine-2,5-dione.
What is the SMILES notation for 1-butan-2-yl-3-cyclopropyl-6-ethylpiperazine-2,5-dione?
The canonical SMILES for 1-butan-2-yl-3-cyclopropyl-6-ethylpiperazine-2,5-dione is CCC(C)N1C(=O)C(C2CC2)NC(=O)C1CC.
What is the InChIKey of 1-butan-2-yl-3-cyclopropyl-6-ethylpiperazine-2,5-dione?
The InChIKey is UJQIVFQFRBMVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-4-8(3)15-10(5-2)12(16)14-11(13(15)17)9-6-7-9/h8-11H,4-7H2,1-3H3,(H,14,16).
What are the key properties of 1-butan-2-yl-3-cyclopropyl-6-ethylpiperazine-2,5-dione?
1-butan-2-yl-3-cyclopropyl-6-ethylpiperazine-2,5-dione has a molecular weight of 238.33 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-3-cyclopropyl-6-ethylpiperazine-2,5-dione is sourced from PubChem (CID 64957501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).