methyl 2-[4-(2-methoxy-2-oxoethyl)piperazin-1-yl]acetate

C10H18N2O4 — CID 6424666

IUPACmethyl 2-[4-(2-methoxy-2-oxoethyl)piperazin-1-yl]acetate
SMILESCOC(=O)CN1CCN(CC(=O)OC)CC1
InChIInChI=1S/C10H18N2O4/c1-15-9(13)7-11-3-5-12(6-4-11)8-10(14)16-2/h3-8H2,1-2H3
InChIKeyLPCBEZKVCPCOAS-UHFFFAOYSA-N
MW230.26 g/mol
LogP-1.05
Rot. Bonds4

About methyl 2-[4-(2-methoxy-2-oxoethyl)piperazin-1-yl]acetate

methyl 2-[4-(2-methoxy-2-oxoethyl)piperazin-1-yl]acetate (PubChem CID 6424666) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is methyl 2-[4-(2-methoxy-2-oxoethyl)piperazin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(2-methoxy-2-oxoethyl)piperazin-1-yl]acetate
PubChem CID6424666
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Namemethyl 2-[4-(2-methoxy-2-oxoethyl)piperazin-1-yl]acetate
SMILESCOC(=O)CN1CCN(CC(=O)OC)CC1
InChIInChI=1S/C10H18N2O4/c1-15-9(13)7-11-3-5-12(6-4-11)8-10(14)16-2/h3-8H2,1-2H3
InChIKeyLPCBEZKVCPCOAS-UHFFFAOYSA-N
XLogP-1.05
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-1.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(2-methoxy-2-oxoethyl)piperazin-1-yl]acetate?
The IUPAC name of methyl 2-[4-(2-methoxy-2-oxoethyl)piperazin-1-yl]acetate (CID 6424666) is methyl 2-[4-(2-methoxy-2-oxoethyl)piperazin-1-yl]acetate.
What is the SMILES notation for methyl 2-[4-(2-methoxy-2-oxoethyl)piperazin-1-yl]acetate?
The canonical SMILES for methyl 2-[4-(2-methoxy-2-oxoethyl)piperazin-1-yl]acetate is COC(=O)CN1CCN(CC(=O)OC)CC1.
What is the InChIKey of methyl 2-[4-(2-methoxy-2-oxoethyl)piperazin-1-yl]acetate?
The InChIKey is LPCBEZKVCPCOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-15-9(13)7-11-3-5-12(6-4-11)8-10(14)16-2/h3-8H2,1-2H3.
What are the key properties of methyl 2-[4-(2-methoxy-2-oxoethyl)piperazin-1-yl]acetate?
methyl 2-[4-(2-methoxy-2-oxoethyl)piperazin-1-yl]acetate has a molecular weight of 230.26 g/mol, XLogP of -1.05, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(2-methoxy-2-oxoethyl)piperazin-1-yl]acetate is sourced from PubChem (CID 6424666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).