1-[1-(furan-2-yl)ethyl]-3,3-dimethyl-6-propan-2-ylpiperazine-2,5-dione

C15H22N2O3 — CID 64960446

IUPAC1-[1-(furan-2-yl)ethyl]-3,3-dimethyl-6-propan-2-ylpiperazine-2,5-dione
SMILESCC(C)C1C(=O)NC(C)(C)C(=O)N1C(C)c1ccco1
InChIInChI=1S/C15H22N2O3/c1-9(2)12-13(18)16-15(4,5)14(19)17(12)10(3)11-7-6-8-20-11/h6-10,12H,1-5H3,(H,16,18)
InChIKeyNRRCIPYSGAOPOA-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.10
Rot. Bonds3

About 1-[1-(furan-2-yl)ethyl]-3,3-dimethyl-6-propan-2-ylpiperazine-2,5-dione

1-[1-(furan-2-yl)ethyl]-3,3-dimethyl-6-propan-2-ylpiperazine-2,5-dione (PubChem CID 64960446) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 1-[1-(furan-2-yl)ethyl]-3,3-dimethyl-6-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-[1-(furan-2-yl)ethyl]-3,3-dimethyl-6-propan-2-ylpiperazine-2,5-dione
PubChem CID64960446
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name1-[1-(furan-2-yl)ethyl]-3,3-dimethyl-6-propan-2-ylpiperazine-2,5-dione
SMILESCC(C)C1C(=O)NC(C)(C)C(=O)N1C(C)c1ccco1
InChIInChI=1S/C15H22N2O3/c1-9(2)12-13(18)16-15(4,5)14(19)17(12)10(3)11-7-6-8-20-11/h6-10,12H,1-5H3,(H,16,18)
InChIKeyNRRCIPYSGAOPOA-UHFFFAOYSA-N
XLogP2.10
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(furan-2-yl)ethyl]-3,3-dimethyl-6-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 1-[1-(furan-2-yl)ethyl]-3,3-dimethyl-6-propan-2-ylpiperazine-2,5-dione (CID 64960446) is 1-[1-(furan-2-yl)ethyl]-3,3-dimethyl-6-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 1-[1-(furan-2-yl)ethyl]-3,3-dimethyl-6-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 1-[1-(furan-2-yl)ethyl]-3,3-dimethyl-6-propan-2-ylpiperazine-2,5-dione is CC(C)C1C(=O)NC(C)(C)C(=O)N1C(C)c1ccco1.
What is the InChIKey of 1-[1-(furan-2-yl)ethyl]-3,3-dimethyl-6-propan-2-ylpiperazine-2,5-dione?
The InChIKey is NRRCIPYSGAOPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-9(2)12-13(18)16-15(4,5)14(19)17(12)10(3)11-7-6-8-20-11/h6-10,12H,1-5H3,(H,16,18).
What are the key properties of 1-[1-(furan-2-yl)ethyl]-3,3-dimethyl-6-propan-2-ylpiperazine-2,5-dione?
1-[1-(furan-2-yl)ethyl]-3,3-dimethyl-6-propan-2-ylpiperazine-2,5-dione has a molecular weight of 278.35 g/mol, XLogP of 2.10, 3 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)ethyl]-3,3-dimethyl-6-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 64960446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).