4-(2,3-dihydro-1,4-dioxine-5-carbonyl)-3,3-dimethylpiperazin-2-one

C11H16N2O4 — CID 16863841

IUPAC4-(2,3-dihydro-1,4-dioxine-5-carbonyl)-3,3-dimethylpiperazin-2-one
SMILESCC1(C)C(=O)NCCN1C(=O)C1=COCCO1
InChIInChI=1S/C11H16N2O4/c1-11(2)10(15)12-3-4-13(11)9(14)8-7-16-5-6-17-8/h7H,3-6H2,1-2H3,(H,12,15)
InChIKeySSTCAKCAFVOSTB-UHFFFAOYSA-N
MW240.26 g/mol
LogP-0.39
Rot. Bonds1

About 4-(2,3-dihydro-1,4-dioxine-5-carbonyl)-3,3-dimethylpiperazin-2-one

4-(2,3-dihydro-1,4-dioxine-5-carbonyl)-3,3-dimethylpiperazin-2-one (PubChem CID 16863841) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 4-(2,3-dihydro-1,4-dioxine-5-carbonyl)-3,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name4-(2,3-dihydro-1,4-dioxine-5-carbonyl)-3,3-dimethylpiperazin-2-one
PubChem CID16863841
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name4-(2,3-dihydro-1,4-dioxine-5-carbonyl)-3,3-dimethylpiperazin-2-one
SMILESCC1(C)C(=O)NCCN1C(=O)C1=COCCO1
InChIInChI=1S/C11H16N2O4/c1-11(2)10(15)12-3-4-13(11)9(14)8-7-16-5-6-17-8/h7H,3-6H2,1-2H3,(H,12,15)
InChIKeySSTCAKCAFVOSTB-UHFFFAOYSA-N
XLogP-0.39
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1,4-dioxine-5-carbonyl)-3,3-dimethylpiperazin-2-one?
The IUPAC name of 4-(2,3-dihydro-1,4-dioxine-5-carbonyl)-3,3-dimethylpiperazin-2-one (CID 16863841) is 4-(2,3-dihydro-1,4-dioxine-5-carbonyl)-3,3-dimethylpiperazin-2-one.
What is the SMILES notation for 4-(2,3-dihydro-1,4-dioxine-5-carbonyl)-3,3-dimethylpiperazin-2-one?
The canonical SMILES for 4-(2,3-dihydro-1,4-dioxine-5-carbonyl)-3,3-dimethylpiperazin-2-one is CC1(C)C(=O)NCCN1C(=O)C1=COCCO1.
What is the InChIKey of 4-(2,3-dihydro-1,4-dioxine-5-carbonyl)-3,3-dimethylpiperazin-2-one?
The InChIKey is SSTCAKCAFVOSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-11(2)10(15)12-3-4-13(11)9(14)8-7-16-5-6-17-8/h7H,3-6H2,1-2H3,(H,12,15).
What are the key properties of 4-(2,3-dihydro-1,4-dioxine-5-carbonyl)-3,3-dimethylpiperazin-2-one?
4-(2,3-dihydro-1,4-dioxine-5-carbonyl)-3,3-dimethylpiperazin-2-one has a molecular weight of 240.26 g/mol, XLogP of -0.39, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1,4-dioxine-5-carbonyl)-3,3-dimethylpiperazin-2-one is sourced from PubChem (CID 16863841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).