1-(1,4-dioxan-2-ylmethyl)-6-propan-2-ylpiperazine-2,5-dione

C12H20N2O4 — CID 64964078

IUPAC1-(1,4-dioxan-2-ylmethyl)-6-propan-2-ylpiperazine-2,5-dione
SMILESCC(C)C1C(=O)NCC(=O)N1CC1COCCO1
InChIInChI=1S/C12H20N2O4/c1-8(2)11-12(16)13-5-10(15)14(11)6-9-7-17-3-4-18-9/h8-9,11H,3-7H2,1-2H3,(H,13,16)
InChIKeyFIYRGIVCFLANRD-UHFFFAOYSA-N
MW256.30 g/mol
LogP-0.62
Rot. Bonds3

About 1-(1,4-dioxan-2-ylmethyl)-6-propan-2-ylpiperazine-2,5-dione

1-(1,4-dioxan-2-ylmethyl)-6-propan-2-ylpiperazine-2,5-dione (PubChem CID 64964078) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 1-(1,4-dioxan-2-ylmethyl)-6-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(1,4-dioxan-2-ylmethyl)-6-propan-2-ylpiperazine-2,5-dione
PubChem CID64964078
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name1-(1,4-dioxan-2-ylmethyl)-6-propan-2-ylpiperazine-2,5-dione
SMILESCC(C)C1C(=O)NCC(=O)N1CC1COCCO1
InChIInChI=1S/C12H20N2O4/c1-8(2)11-12(16)13-5-10(15)14(11)6-9-7-17-3-4-18-9/h8-9,11H,3-7H2,1-2H3,(H,13,16)
InChIKeyFIYRGIVCFLANRD-UHFFFAOYSA-N
XLogP-0.62
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 5-0.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxan-2-ylmethyl)-6-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 1-(1,4-dioxan-2-ylmethyl)-6-propan-2-ylpiperazine-2,5-dione (CID 64964078) is 1-(1,4-dioxan-2-ylmethyl)-6-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 1-(1,4-dioxan-2-ylmethyl)-6-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 1-(1,4-dioxan-2-ylmethyl)-6-propan-2-ylpiperazine-2,5-dione is CC(C)C1C(=O)NCC(=O)N1CC1COCCO1.
What is the InChIKey of 1-(1,4-dioxan-2-ylmethyl)-6-propan-2-ylpiperazine-2,5-dione?
The InChIKey is FIYRGIVCFLANRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-8(2)11-12(16)13-5-10(15)14(11)6-9-7-17-3-4-18-9/h8-9,11H,3-7H2,1-2H3,(H,13,16).
What are the key properties of 1-(1,4-dioxan-2-ylmethyl)-6-propan-2-ylpiperazine-2,5-dione?
1-(1,4-dioxan-2-ylmethyl)-6-propan-2-ylpiperazine-2,5-dione has a molecular weight of 256.30 g/mol, XLogP of -0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxan-2-ylmethyl)-6-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 64964078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).