methyl 2-[6-(2-methoxy-2-oxoethyl)-1,4-dimethylpiperazin-2-yl]acetate

C12H22N2O4 — CID 135056336

IUPACmethyl 2-[6-(2-methoxy-2-oxoethyl)-1,4-dimethylpiperazin-2-yl]acetate
SMILESCOC(=O)CC1CN(C)CC(CC(=O)OC)N1C
InChIInChI=1S/C12H22N2O4/c1-13-7-9(5-11(15)17-3)14(2)10(8-13)6-12(16)18-4/h9-10H,5-8H2,1-4H3
InChIKeyDYHBBPLDBXMTSJ-UHFFFAOYSA-N
MW258.32 g/mol
LogP-0.27
Rot. Bonds4

About methyl 2-[6-(2-methoxy-2-oxoethyl)-1,4-dimethylpiperazin-2-yl]acetate

methyl 2-[6-(2-methoxy-2-oxoethyl)-1,4-dimethylpiperazin-2-yl]acetate (PubChem CID 135056336) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is methyl 2-[6-(2-methoxy-2-oxoethyl)-1,4-dimethylpiperazin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[6-(2-methoxy-2-oxoethyl)-1,4-dimethylpiperazin-2-yl]acetate
PubChem CID135056336
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Namemethyl 2-[6-(2-methoxy-2-oxoethyl)-1,4-dimethylpiperazin-2-yl]acetate
SMILESCOC(=O)CC1CN(C)CC(CC(=O)OC)N1C
InChIInChI=1S/C12H22N2O4/c1-13-7-9(5-11(15)17-3)14(2)10(8-13)6-12(16)18-4/h9-10H,5-8H2,1-4H3
InChIKeyDYHBBPLDBXMTSJ-UHFFFAOYSA-N
XLogP-0.27
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 5-0.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[6-(2-methoxy-2-oxoethyl)-1,4-dimethylpiperazin-2-yl]acetate?
The IUPAC name of methyl 2-[6-(2-methoxy-2-oxoethyl)-1,4-dimethylpiperazin-2-yl]acetate (CID 135056336) is methyl 2-[6-(2-methoxy-2-oxoethyl)-1,4-dimethylpiperazin-2-yl]acetate.
What is the SMILES notation for methyl 2-[6-(2-methoxy-2-oxoethyl)-1,4-dimethylpiperazin-2-yl]acetate?
The canonical SMILES for methyl 2-[6-(2-methoxy-2-oxoethyl)-1,4-dimethylpiperazin-2-yl]acetate is COC(=O)CC1CN(C)CC(CC(=O)OC)N1C.
What is the InChIKey of methyl 2-[6-(2-methoxy-2-oxoethyl)-1,4-dimethylpiperazin-2-yl]acetate?
The InChIKey is DYHBBPLDBXMTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-13-7-9(5-11(15)17-3)14(2)10(8-13)6-12(16)18-4/h9-10H,5-8H2,1-4H3.
What are the key properties of methyl 2-[6-(2-methoxy-2-oxoethyl)-1,4-dimethylpiperazin-2-yl]acetate?
methyl 2-[6-(2-methoxy-2-oxoethyl)-1,4-dimethylpiperazin-2-yl]acetate has a molecular weight of 258.32 g/mol, XLogP of -0.27, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[6-(2-methoxy-2-oxoethyl)-1,4-dimethylpiperazin-2-yl]acetate is sourced from PubChem (CID 135056336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).