methyl 2-[4-(2-oxopiperazin-1-yl)cyclohexyl]oxyacetate

C13H22N2O4 — CID 19602778

IUPACmethyl 2-[4-(2-oxopiperazin-1-yl)cyclohexyl]oxyacetate
SMILESCOC(=O)COC1CCC(N2CCNCC2=O)CC1
InChIInChI=1S/C13H22N2O4/c1-18-13(17)9-19-11-4-2-10(3-5-11)15-7-6-14-8-12(15)16/h10-11,14H,2-9H2,1H3
InChIKeyDKEJUVSKCJDVOP-UHFFFAOYSA-N
MW270.33 g/mol
LogP-0.08
Rot. Bonds4

About methyl 2-[4-(2-oxopiperazin-1-yl)cyclohexyl]oxyacetate

methyl 2-[4-(2-oxopiperazin-1-yl)cyclohexyl]oxyacetate (PubChem CID 19602778) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is methyl 2-[4-(2-oxopiperazin-1-yl)cyclohexyl]oxyacetate.

Molecular Properties

Compound Namemethyl 2-[4-(2-oxopiperazin-1-yl)cyclohexyl]oxyacetate
PubChem CID19602778
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Namemethyl 2-[4-(2-oxopiperazin-1-yl)cyclohexyl]oxyacetate
SMILESCOC(=O)COC1CCC(N2CCNCC2=O)CC1
InChIInChI=1S/C13H22N2O4/c1-18-13(17)9-19-11-4-2-10(3-5-11)15-7-6-14-8-12(15)16/h10-11,14H,2-9H2,1H3
InChIKeyDKEJUVSKCJDVOP-UHFFFAOYSA-N
XLogP-0.08
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(2-oxopiperazin-1-yl)cyclohexyl]oxyacetate?
The IUPAC name of methyl 2-[4-(2-oxopiperazin-1-yl)cyclohexyl]oxyacetate (CID 19602778) is methyl 2-[4-(2-oxopiperazin-1-yl)cyclohexyl]oxyacetate.
What is the SMILES notation for methyl 2-[4-(2-oxopiperazin-1-yl)cyclohexyl]oxyacetate?
The canonical SMILES for methyl 2-[4-(2-oxopiperazin-1-yl)cyclohexyl]oxyacetate is COC(=O)COC1CCC(N2CCNCC2=O)CC1.
What is the InChIKey of methyl 2-[4-(2-oxopiperazin-1-yl)cyclohexyl]oxyacetate?
The InChIKey is DKEJUVSKCJDVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-18-13(17)9-19-11-4-2-10(3-5-11)15-7-6-14-8-12(15)16/h10-11,14H,2-9H2,1H3.
What are the key properties of methyl 2-[4-(2-oxopiperazin-1-yl)cyclohexyl]oxyacetate?
methyl 2-[4-(2-oxopiperazin-1-yl)cyclohexyl]oxyacetate has a molecular weight of 270.33 g/mol, XLogP of -0.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(2-oxopiperazin-1-yl)cyclohexyl]oxyacetate is sourced from PubChem (CID 19602778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).