3-cyclopropyl-6-methyl-1-[1-(5-methylfuran-2-yl)ethyl]piperazine-2,5-dione

C15H20N2O3 — CID 64965627

IUPAC3-cyclopropyl-6-methyl-1-[1-(5-methylfuran-2-yl)ethyl]piperazine-2,5-dione
SMILESCc1ccc(C(C)N2C(=O)C(C3CC3)NC(=O)C2C)o1
InChIInChI=1S/C15H20N2O3/c1-8-4-7-12(20-8)9(2)17-10(3)14(18)16-13(15(17)19)11-5-6-11/h4,7,9-11,13H,5-6H2,1-3H3,(H,16,18)
InChIKeyIOCAKBSTSUCUTD-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.77
Rot. Bonds3

About 3-cyclopropyl-6-methyl-1-[1-(5-methylfuran-2-yl)ethyl]piperazine-2,5-dione

3-cyclopropyl-6-methyl-1-[1-(5-methylfuran-2-yl)ethyl]piperazine-2,5-dione (PubChem CID 64965627) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-cyclopropyl-6-methyl-1-[1-(5-methylfuran-2-yl)ethyl]piperazine-2,5-dione.

Molecular Properties

Compound Name3-cyclopropyl-6-methyl-1-[1-(5-methylfuran-2-yl)ethyl]piperazine-2,5-dione
PubChem CID64965627
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name3-cyclopropyl-6-methyl-1-[1-(5-methylfuran-2-yl)ethyl]piperazine-2,5-dione
SMILESCc1ccc(C(C)N2C(=O)C(C3CC3)NC(=O)C2C)o1
InChIInChI=1S/C15H20N2O3/c1-8-4-7-12(20-8)9(2)17-10(3)14(18)16-13(15(17)19)11-5-6-11/h4,7,9-11,13H,5-6H2,1-3H3,(H,16,18)
InChIKeyIOCAKBSTSUCUTD-UHFFFAOYSA-N
XLogP1.77
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-6-methyl-1-[1-(5-methylfuran-2-yl)ethyl]piperazine-2,5-dione?
The IUPAC name of 3-cyclopropyl-6-methyl-1-[1-(5-methylfuran-2-yl)ethyl]piperazine-2,5-dione (CID 64965627) is 3-cyclopropyl-6-methyl-1-[1-(5-methylfuran-2-yl)ethyl]piperazine-2,5-dione.
What is the SMILES notation for 3-cyclopropyl-6-methyl-1-[1-(5-methylfuran-2-yl)ethyl]piperazine-2,5-dione?
The canonical SMILES for 3-cyclopropyl-6-methyl-1-[1-(5-methylfuran-2-yl)ethyl]piperazine-2,5-dione is Cc1ccc(C(C)N2C(=O)C(C3CC3)NC(=O)C2C)o1.
What is the InChIKey of 3-cyclopropyl-6-methyl-1-[1-(5-methylfuran-2-yl)ethyl]piperazine-2,5-dione?
The InChIKey is IOCAKBSTSUCUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-8-4-7-12(20-8)9(2)17-10(3)14(18)16-13(15(17)19)11-5-6-11/h4,7,9-11,13H,5-6H2,1-3H3,(H,16,18).
What are the key properties of 3-cyclopropyl-6-methyl-1-[1-(5-methylfuran-2-yl)ethyl]piperazine-2,5-dione?
3-cyclopropyl-6-methyl-1-[1-(5-methylfuran-2-yl)ethyl]piperazine-2,5-dione has a molecular weight of 276.34 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-6-methyl-1-[1-(5-methylfuran-2-yl)ethyl]piperazine-2,5-dione is sourced from PubChem (CID 64965627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).