1-(1-cyclopropylethyl)-3-(2-methylpropyl)piperazine-2,5-dione

C13H22N2O2 — CID 64960795

IUPAC1-(1-cyclopropylethyl)-3-(2-methylpropyl)piperazine-2,5-dione
SMILESCC(C)CC1NC(=O)CN(C(C)C2CC2)C1=O
InChIInChI=1S/C13H22N2O2/c1-8(2)6-11-13(17)15(7-12(16)14-11)9(3)10-4-5-10/h8-11H,4-7H2,1-3H3,(H,14,16)
InChIKeyMNUJZLDYSGMFFE-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.16
Rot. Bonds4

About 1-(1-cyclopropylethyl)-3-(2-methylpropyl)piperazine-2,5-dione

1-(1-cyclopropylethyl)-3-(2-methylpropyl)piperazine-2,5-dione (PubChem CID 64960795) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-(1-cyclopropylethyl)-3-(2-methylpropyl)piperazine-2,5-dione.

Molecular Properties

Compound Name1-(1-cyclopropylethyl)-3-(2-methylpropyl)piperazine-2,5-dione
PubChem CID64960795
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name1-(1-cyclopropylethyl)-3-(2-methylpropyl)piperazine-2,5-dione
SMILESCC(C)CC1NC(=O)CN(C(C)C2CC2)C1=O
InChIInChI=1S/C13H22N2O2/c1-8(2)6-11-13(17)15(7-12(16)14-11)9(3)10-4-5-10/h8-11H,4-7H2,1-3H3,(H,14,16)
InChIKeyMNUJZLDYSGMFFE-UHFFFAOYSA-N
XLogP1.16
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 ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylethyl)-3-(2-methylpropyl)piperazine-2,5-dione?
The IUPAC name of 1-(1-cyclopropylethyl)-3-(2-methylpropyl)piperazine-2,5-dione (CID 64960795) is 1-(1-cyclopropylethyl)-3-(2-methylpropyl)piperazine-2,5-dione.
What is the SMILES notation for 1-(1-cyclopropylethyl)-3-(2-methylpropyl)piperazine-2,5-dione?
The canonical SMILES for 1-(1-cyclopropylethyl)-3-(2-methylpropyl)piperazine-2,5-dione is CC(C)CC1NC(=O)CN(C(C)C2CC2)C1=O.
What is the InChIKey of 1-(1-cyclopropylethyl)-3-(2-methylpropyl)piperazine-2,5-dione?
The InChIKey is MNUJZLDYSGMFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-8(2)6-11-13(17)15(7-12(16)14-11)9(3)10-4-5-10/h8-11H,4-7H2,1-3H3,(H,14,16).
What are the key properties of 1-(1-cyclopropylethyl)-3-(2-methylpropyl)piperazine-2,5-dione?
1-(1-cyclopropylethyl)-3-(2-methylpropyl)piperazine-2,5-dione has a molecular weight of 238.33 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylethyl)-3-(2-methylpropyl)piperazine-2,5-dione is sourced from PubChem (CID 64960795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).