3,3-dimethyl-4-(2,4,5-trimethylfuran-3-carbonyl)piperazin-2-one

C14H20N2O3 — CID 63606364

IUPAC3,3-dimethyl-4-(2,4,5-trimethylfuran-3-carbonyl)piperazin-2-one
SMILESCc1oc(C)c(C(=O)N2CCNC(=O)C2(C)C)c1C
InChIInChI=1S/C14H20N2O3/c1-8-9(2)19-10(3)11(8)12(17)16-7-6-15-13(18)14(16,4)5/h6-7H2,1-5H3,(H,15,18)
InChIKeyUCMXLWKLXJMTQW-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.56
Rot. Bonds1

About 3,3-dimethyl-4-(2,4,5-trimethylfuran-3-carbonyl)piperazin-2-one

3,3-dimethyl-4-(2,4,5-trimethylfuran-3-carbonyl)piperazin-2-one (PubChem CID 63606364) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 3,3-dimethyl-4-(2,4,5-trimethylfuran-3-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name3,3-dimethyl-4-(2,4,5-trimethylfuran-3-carbonyl)piperazin-2-one
PubChem CID63606364
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name3,3-dimethyl-4-(2,4,5-trimethylfuran-3-carbonyl)piperazin-2-one
SMILESCc1oc(C)c(C(=O)N2CCNC(=O)C2(C)C)c1C
InChIInChI=1S/C14H20N2O3/c1-8-9(2)19-10(3)11(8)12(17)16-7-6-15-13(18)14(16,4)5/h6-7H2,1-5H3,(H,15,18)
InChIKeyUCMXLWKLXJMTQW-UHFFFAOYSA-N
XLogP1.56
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-(2,4,5-trimethylfuran-3-carbonyl)piperazin-2-one?
The IUPAC name of 3,3-dimethyl-4-(2,4,5-trimethylfuran-3-carbonyl)piperazin-2-one (CID 63606364) is 3,3-dimethyl-4-(2,4,5-trimethylfuran-3-carbonyl)piperazin-2-one.
What is the SMILES notation for 3,3-dimethyl-4-(2,4,5-trimethylfuran-3-carbonyl)piperazin-2-one?
The canonical SMILES for 3,3-dimethyl-4-(2,4,5-trimethylfuran-3-carbonyl)piperazin-2-one is Cc1oc(C)c(C(=O)N2CCNC(=O)C2(C)C)c1C.
What is the InChIKey of 3,3-dimethyl-4-(2,4,5-trimethylfuran-3-carbonyl)piperazin-2-one?
The InChIKey is UCMXLWKLXJMTQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-8-9(2)19-10(3)11(8)12(17)16-7-6-15-13(18)14(16,4)5/h6-7H2,1-5H3,(H,15,18).
What are the key properties of 3,3-dimethyl-4-(2,4,5-trimethylfuran-3-carbonyl)piperazin-2-one?
3,3-dimethyl-4-(2,4,5-trimethylfuran-3-carbonyl)piperazin-2-one has a molecular weight of 264.32 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-(2,4,5-trimethylfuran-3-carbonyl)piperazin-2-one is sourced from PubChem (CID 63606364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).