1-[4-(furan-2-yl)butan-2-yl]-3-propylpiperazine-2,5-dione

C15H22N2O3 — CID 64966621

IUPAC1-[4-(furan-2-yl)butan-2-yl]-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)CN(C(C)CCc2ccco2)C1=O
InChIInChI=1S/C15H22N2O3/c1-3-5-13-15(19)17(10-14(18)16-13)11(2)7-8-12-6-4-9-20-12/h4,6,9,11,13H,3,5,7-8,10H2,1-2H3,(H,16,18)
InChIKeyGZBPZWZCRTWUMX-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.73
Rot. Bonds6

About 1-[4-(furan-2-yl)butan-2-yl]-3-propylpiperazine-2,5-dione

1-[4-(furan-2-yl)butan-2-yl]-3-propylpiperazine-2,5-dione (PubChem CID 64966621) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 1-[4-(furan-2-yl)butan-2-yl]-3-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[4-(furan-2-yl)butan-2-yl]-3-propylpiperazine-2,5-dione
PubChem CID64966621
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name1-[4-(furan-2-yl)butan-2-yl]-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)CN(C(C)CCc2ccco2)C1=O
InChIInChI=1S/C15H22N2O3/c1-3-5-13-15(19)17(10-14(18)16-13)11(2)7-8-12-6-4-9-20-12/h4,6,9,11,13H,3,5,7-8,10H2,1-2H3,(H,16,18)
InChIKeyGZBPZWZCRTWUMX-UHFFFAOYSA-N
XLogP1.73
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

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Related Compounds

1-[4-(furan-2-yl)butan-2-yl]-3-methylpiperazine-2,5-dione
CID 64966669
1-[1-(5-methylfuran-2-yl)ethyl]-3-propylpiperazine-2,5-dione
CID 64965650
1-[1-(furan-2-yl)propan-2-yl]-6-methyl-3-propylpiperazine-2,5-dione
CID 64964702
1-[1-(2-methylphenyl)ethyl]-3-propylpiperazine-2,5-dione
CID 64966088
1-[2-(furan-2-yl)ethyl]-3-methylpiperazine-2,5-dione
CID 64964752
1-[4-(furan-2-yl)butan-2-yl]-5-propan-2-yl-1,3-diazinane-2,4,6-trione
CID 115947632
1-pentan-2-yl-3-propan-2-ylpiperazine-2,5-dione
CID 64957214
3-tert-butyl-1-[2-(furan-2-yl)ethyl]piperazine-2,5-dione
CID 64964726
3-butan-2-yl-1-[1-(furan-2-yl)ethyl]piperazine-2,5-dione
CID 64961132
1-(2-phenylpropyl)-3-propylpiperazine-2,5-dione
CID 104592447
1-(1-cyclohexylpropyl)-3-propylpiperazine-2,5-dione
CID 64969313
3-ethyl-1-(furan-2-ylmethyl)-1,4-diazepane-2,5-dione
CID 64957599

Frequently Asked Questions

What is the IUPAC name of 1-[4-(furan-2-yl)butan-2-yl]-3-propylpiperazine-2,5-dione?
The IUPAC name of 1-[4-(furan-2-yl)butan-2-yl]-3-propylpiperazine-2,5-dione (CID 64966621) is 1-[4-(furan-2-yl)butan-2-yl]-3-propylpiperazine-2,5-dione.
What is the SMILES notation for 1-[4-(furan-2-yl)butan-2-yl]-3-propylpiperazine-2,5-dione?
The canonical SMILES for 1-[4-(furan-2-yl)butan-2-yl]-3-propylpiperazine-2,5-dione is CCCC1NC(=O)CN(C(C)CCc2ccco2)C1=O.
What is the InChIKey of 1-[4-(furan-2-yl)butan-2-yl]-3-propylpiperazine-2,5-dione?
The InChIKey is GZBPZWZCRTWUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-3-5-13-15(19)17(10-14(18)16-13)11(2)7-8-12-6-4-9-20-12/h4,6,9,11,13H,3,5,7-8,10H2,1-2H3,(H,16,18).
What are the key properties of 1-[4-(furan-2-yl)butan-2-yl]-3-propylpiperazine-2,5-dione?
1-[4-(furan-2-yl)butan-2-yl]-3-propylpiperazine-2,5-dione has a molecular weight of 278.35 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(furan-2-yl)butan-2-yl]-3-propylpiperazine-2,5-dione is sourced from PubChem (CID 64966621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).