4-methyl-5-piperazin-1-yl-1,3-dioxolan-2-one

C8H14N2O3 — CID 150367827

IUPAC4-methyl-5-piperazin-1-yl-1,3-dioxolan-2-one
SMILESCC1OC(=O)OC1N1CCNCC1
InChIInChI=1S/C8H14N2O3/c1-6-7(13-8(11)12-6)10-4-2-9-3-5-10/h6-7,9H,2-5H2,1H3
InChIKeyGXBZSIYONPGTRZ-UHFFFAOYSA-N
MW186.21 g/mol
LogP-0.23
Rot. Bonds1

About 4-methyl-5-piperazin-1-yl-1,3-dioxolan-2-one

4-methyl-5-piperazin-1-yl-1,3-dioxolan-2-one (PubChem CID 150367827) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is 4-methyl-5-piperazin-1-yl-1,3-dioxolan-2-one.

Molecular Properties

Compound Name4-methyl-5-piperazin-1-yl-1,3-dioxolan-2-one
PubChem CID150367827
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name4-methyl-5-piperazin-1-yl-1,3-dioxolan-2-one
SMILESCC1OC(=O)OC1N1CCNCC1
InChIInChI=1S/C8H14N2O3/c1-6-7(13-8(11)12-6)10-4-2-9-3-5-10/h6-7,9H,2-5H2,1H3
InChIKeyGXBZSIYONPGTRZ-UHFFFAOYSA-N
XLogP-0.23
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-piperazin-1-yl-1,3-dioxolan-2-one?
The IUPAC name of 4-methyl-5-piperazin-1-yl-1,3-dioxolan-2-one (CID 150367827) is 4-methyl-5-piperazin-1-yl-1,3-dioxolan-2-one.
What is the SMILES notation for 4-methyl-5-piperazin-1-yl-1,3-dioxolan-2-one?
The canonical SMILES for 4-methyl-5-piperazin-1-yl-1,3-dioxolan-2-one is CC1OC(=O)OC1N1CCNCC1.
What is the InChIKey of 4-methyl-5-piperazin-1-yl-1,3-dioxolan-2-one?
The InChIKey is GXBZSIYONPGTRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-6-7(13-8(11)12-6)10-4-2-9-3-5-10/h6-7,9H,2-5H2,1H3.
What are the key properties of 4-methyl-5-piperazin-1-yl-1,3-dioxolan-2-one?
4-methyl-5-piperazin-1-yl-1,3-dioxolan-2-one has a molecular weight of 186.21 g/mol, XLogP of -0.23, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-piperazin-1-yl-1,3-dioxolan-2-one is sourced from PubChem (CID 150367827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).