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

C14H20N2O3 — CID 64965650

IUPAC1-[1-(5-methylfuran-2-yl)ethyl]-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)CN(C(C)c2ccc(C)o2)C1=O
InChIInChI=1S/C14H20N2O3/c1-4-5-11-14(18)16(8-13(17)15-11)10(3)12-7-6-9(2)19-12/h6-7,10-11H,4-5,8H2,1-3H3,(H,15,17)
InChIKeyVPPZYPXWGKTBQJ-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.78
Rot. Bonds4

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

1-[1-(5-methylfuran-2-yl)ethyl]-3-propylpiperazine-2,5-dione (PubChem CID 64965650) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 1-[1-(5-methylfuran-2-yl)ethyl]-3-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[1-(5-methylfuran-2-yl)ethyl]-3-propylpiperazine-2,5-dione
PubChem CID64965650
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name1-[1-(5-methylfuran-2-yl)ethyl]-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)CN(C(C)c2ccc(C)o2)C1=O
InChIInChI=1S/C14H20N2O3/c1-4-5-11-14(18)16(8-13(17)15-11)10(3)12-7-6-9(2)19-12/h6-7,10-11H,4-5,8H2,1-3H3,(H,15,17)
InChIKeyVPPZYPXWGKTBQJ-UHFFFAOYSA-N
XLogP1.78
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-1-[1-(5-methylfuran-2-yl)ethyl]-3-propylpiperazine-2,5-dione
CID 64965569
1-[1-(2-methylphenyl)ethyl]-3-propylpiperazine-2,5-dione
CID 64966088
1-[1-(5-methylfuran-2-yl)ethyl]imidazolidine-2,4-dione
CID 79776757
1-(3,3-dimethylbutan-2-yl)-3-propylpiperazine-2,5-dione
CID 104830282
1-[4-(furan-2-yl)butan-2-yl]-3-propylpiperazine-2,5-dione
CID 64966621
1-[1-(2,5-dimethylfuran-3-yl)ethyl]-3-propyl-1,4-diazepane-2,5-dione
CID 64967902
1-(1-cyclohexylpropyl)-3-propylpiperazine-2,5-dione
CID 64969313
3-cyclopropyl-6-ethyl-1-[1-(5-methylfuran-2-yl)ethyl]piperazine-2,5-dione
CID 64965675
1-(3,5-dimethoxyphenyl)-3-propylpiperazine-2,5-dione
CID 64956816
1-(4-bromo-3-methylphenyl)-3-propylpiperazine-2,5-dione
CID 64962234
1-[1-(4-chlorophenyl)ethyl]-3-propyl-1,4-diazepane-2,5-dione
CID 64965449
1-(5-methyl-3-pyridinyl)-3-propylpiperazine-2,5-dione
CID 107587022

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-methylfuran-2-yl)ethyl]-3-propylpiperazine-2,5-dione?
The IUPAC name of 1-[1-(5-methylfuran-2-yl)ethyl]-3-propylpiperazine-2,5-dione (CID 64965650) is 1-[1-(5-methylfuran-2-yl)ethyl]-3-propylpiperazine-2,5-dione.
What is the SMILES notation for 1-[1-(5-methylfuran-2-yl)ethyl]-3-propylpiperazine-2,5-dione?
The canonical SMILES for 1-[1-(5-methylfuran-2-yl)ethyl]-3-propylpiperazine-2,5-dione is CCCC1NC(=O)CN(C(C)c2ccc(C)o2)C1=O.
What is the InChIKey of 1-[1-(5-methylfuran-2-yl)ethyl]-3-propylpiperazine-2,5-dione?
The InChIKey is VPPZYPXWGKTBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-4-5-11-14(18)16(8-13(17)15-11)10(3)12-7-6-9(2)19-12/h6-7,10-11H,4-5,8H2,1-3H3,(H,15,17).
What are the key properties of 1-[1-(5-methylfuran-2-yl)ethyl]-3-propylpiperazine-2,5-dione?
1-[1-(5-methylfuran-2-yl)ethyl]-3-propylpiperazine-2,5-dione has a molecular weight of 264.32 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-methylfuran-2-yl)ethyl]-3-propylpiperazine-2,5-dione is sourced from PubChem (CID 64965650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).