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

C15H22N2O3 — CID 64965569

IUPAC6-methyl-1-[1-(5-methylfuran-2-yl)ethyl]-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)C(C)N(C(C)c2ccc(C)o2)C1=O
InChIInChI=1S/C15H22N2O3/c1-5-6-12-15(19)17(11(4)14(18)16-12)10(3)13-8-7-9(2)20-13/h7-8,10-12H,5-6H2,1-4H3,(H,16,18)
InChIKeyKGSDGIIFTGZILT-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.16
Rot. Bonds4

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

6-methyl-1-[1-(5-methylfuran-2-yl)ethyl]-3-propylpiperazine-2,5-dione (PubChem CID 64965569) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 6-methyl-1-[1-(5-methylfuran-2-yl)ethyl]-3-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name6-methyl-1-[1-(5-methylfuran-2-yl)ethyl]-3-propylpiperazine-2,5-dione
PubChem CID64965569
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name6-methyl-1-[1-(5-methylfuran-2-yl)ethyl]-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)C(C)N(C(C)c2ccc(C)o2)C1=O
InChIInChI=1S/C15H22N2O3/c1-5-6-12-15(19)17(11(4)14(18)16-12)10(3)13-8-7-9(2)20-13/h7-8,10-12H,5-6H2,1-4H3,(H,16,18)
InChIKeyKGSDGIIFTGZILT-UHFFFAOYSA-N
XLogP2.16
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(5-methylfuran-2-yl)ethyl]-3-propylpiperazine-2,5-dione
CID 64965650
3-cyclopropyl-6-methyl-1-[1-(5-methylfuran-2-yl)ethyl]piperazine-2,5-dione
CID 64965627
6-methyl-1-propan-2-yl-3-propylpiperazine-2,5-dione
CID 64872566
1-[1-(furan-2-yl)propan-2-yl]-6-methyl-3-propylpiperazine-2,5-dione
CID 64964702
6-methyl-1-(2-methylpentan-3-yl)-3-propylpiperazine-2,5-dione
CID 64964662
1-hexan-2-yl-6-methyl-3-propylpiperazine-2,5-dione
CID 64969088
1-(1-ethylsulfanylpropan-2-yl)-6-methyl-3-propylpiperazine-2,5-dione
CID 113499375
3-methyl-1-[1-(5-methylfuran-2-yl)ethyl]-6-propan-2-ylpiperazine-2,5-dione
CID 64965003
3-cyclopropyl-6-ethyl-1-[1-(5-methylfuran-2-yl)ethyl]piperazine-2,5-dione
CID 64965675
6-methyl-1-(2-methylpropyl)-3-propylpiperazine-2,5-dione
CID 64872371
6-methyl-3-propyl-1-(1-thiophen-2-ylbutyl)piperazine-2,5-dione
CID 64966334
6-methyl-1-(4-methylphenyl)-3-propylpiperazine-2,5-dione
CID 64959354

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-[1-(5-methylfuran-2-yl)ethyl]-3-propylpiperazine-2,5-dione?
The IUPAC name of 6-methyl-1-[1-(5-methylfuran-2-yl)ethyl]-3-propylpiperazine-2,5-dione (CID 64965569) is 6-methyl-1-[1-(5-methylfuran-2-yl)ethyl]-3-propylpiperazine-2,5-dione.
What is the SMILES notation for 6-methyl-1-[1-(5-methylfuran-2-yl)ethyl]-3-propylpiperazine-2,5-dione?
The canonical SMILES for 6-methyl-1-[1-(5-methylfuran-2-yl)ethyl]-3-propylpiperazine-2,5-dione is CCCC1NC(=O)C(C)N(C(C)c2ccc(C)o2)C1=O.
What is the InChIKey of 6-methyl-1-[1-(5-methylfuran-2-yl)ethyl]-3-propylpiperazine-2,5-dione?
The InChIKey is KGSDGIIFTGZILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-5-6-12-15(19)17(11(4)14(18)16-12)10(3)13-8-7-9(2)20-13/h7-8,10-12H,5-6H2,1-4H3,(H,16,18).
What are the key properties of 6-methyl-1-[1-(5-methylfuran-2-yl)ethyl]-3-propylpiperazine-2,5-dione?
6-methyl-1-[1-(5-methylfuran-2-yl)ethyl]-3-propylpiperazine-2,5-dione has a molecular weight of 278.35 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-[1-(5-methylfuran-2-yl)ethyl]-3-propylpiperazine-2,5-dione is sourced from PubChem (CID 64965569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).