1-[1-(furan-2-yl)propan-2-yl]-6-methyl-3-propylpiperazine-2,5-dione

C15H22N2O3 — CID 64964702

IUPAC1-[1-(furan-2-yl)propan-2-yl]-6-methyl-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)C(C)N(C(C)Cc2ccco2)C1=O
InChIInChI=1S/C15H22N2O3/c1-4-6-13-15(19)17(11(3)14(18)16-13)10(2)9-12-7-5-8-20-12/h5,7-8,10-11,13H,4,6,9H2,1-3H3,(H,16,18)
InChIKeyJCJINPPOMRESFT-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.73
Rot. Bonds5

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

1-[1-(furan-2-yl)propan-2-yl]-6-methyl-3-propylpiperazine-2,5-dione (PubChem CID 64964702) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 1-[1-(furan-2-yl)propan-2-yl]-6-methyl-3-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[1-(furan-2-yl)propan-2-yl]-6-methyl-3-propylpiperazine-2,5-dione
PubChem CID64964702
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name1-[1-(furan-2-yl)propan-2-yl]-6-methyl-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)C(C)N(C(C)Cc2ccco2)C1=O
InChIInChI=1S/C15H22N2O3/c1-4-6-13-15(19)17(11(3)14(18)16-13)10(2)9-12-7-5-8-20-12/h5,7-8,10-11,13H,4,6,9H2,1-3H3,(H,16,18)
InChIKeyJCJINPPOMRESFT-UHFFFAOYSA-N
XLogP1.73
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[1-(furan-2-yl)propan-2-yl]-6-methyl-3-propylpiperazine-2,5-dione with MolForge

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Related Compounds

6-methyl-1-propan-2-yl-3-propylpiperazine-2,5-dione
CID 64872566
1-hexan-2-yl-6-methyl-3-propylpiperazine-2,5-dione
CID 64969088
6-methyl-1-[1-(5-methylfuran-2-yl)ethyl]-3-propylpiperazine-2,5-dione
CID 64965569
3-cyclopropyl-1-[1-(furan-2-yl)propan-2-yl]-3,6-dimethylpiperazine-2,5-dione
CID 64964724
1-(1-ethylsulfanylpropan-2-yl)-6-methyl-3-propylpiperazine-2,5-dione
CID 113499375
1-[4-(furan-2-yl)butan-2-yl]-3-propylpiperazine-2,5-dione
CID 64966621
6-methyl-1-(2-methylpentan-3-yl)-3-propylpiperazine-2,5-dione
CID 64964662
1-[2-(furan-2-yl)ethyl]-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione
CID 64964778
6-ethyl-3-propyl-1-(1-thiophen-2-ylpropan-2-yl)piperazine-2,5-dione
CID 64970920
6-methyl-3-propyl-1-(1-thiophen-2-ylbutyl)piperazine-2,5-dione
CID 64966334
6-ethyl-1-(1-phenylethyl)-3-propylpiperazine-2,5-dione
CID 64957677
4-[1-(furan-2-yl)propan-2-yl]piperazine-2,6-dione
CID 63789266

Frequently Asked Questions

What is the IUPAC name of 1-[1-(furan-2-yl)propan-2-yl]-6-methyl-3-propylpiperazine-2,5-dione?
The IUPAC name of 1-[1-(furan-2-yl)propan-2-yl]-6-methyl-3-propylpiperazine-2,5-dione (CID 64964702) is 1-[1-(furan-2-yl)propan-2-yl]-6-methyl-3-propylpiperazine-2,5-dione.
What is the SMILES notation for 1-[1-(furan-2-yl)propan-2-yl]-6-methyl-3-propylpiperazine-2,5-dione?
The canonical SMILES for 1-[1-(furan-2-yl)propan-2-yl]-6-methyl-3-propylpiperazine-2,5-dione is CCCC1NC(=O)C(C)N(C(C)Cc2ccco2)C1=O.
What is the InChIKey of 1-[1-(furan-2-yl)propan-2-yl]-6-methyl-3-propylpiperazine-2,5-dione?
The InChIKey is JCJINPPOMRESFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-4-6-13-15(19)17(11(3)14(18)16-13)10(2)9-12-7-5-8-20-12/h5,7-8,10-11,13H,4,6,9H2,1-3H3,(H,16,18).
What are the key properties of 1-[1-(furan-2-yl)propan-2-yl]-6-methyl-3-propylpiperazine-2,5-dione?
1-[1-(furan-2-yl)propan-2-yl]-6-methyl-3-propylpiperazine-2,5-dione has a molecular weight of 278.35 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(furan-2-yl)propan-2-yl]-6-methyl-3-propylpiperazine-2,5-dione is sourced from PubChem (CID 64964702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).