methyl 3-[4-(2-methoxy-2-oxoethyl)-3-methylpiperazin-1-yl]propanoate

C12H22N2O4 — CID 75443753

IUPACmethyl 3-[4-(2-methoxy-2-oxoethyl)-3-methylpiperazin-1-yl]propanoate
SMILESCOC(=O)CCN1CCN(CC(=O)OC)C(C)C1
InChIInChI=1S/C12H22N2O4/c1-10-8-13(5-4-11(15)17-2)6-7-14(10)9-12(16)18-3/h10H,4-9H2,1-3H3
InChIKeyMXIVQVKQEYNPPL-UHFFFAOYSA-N
MW258.32 g/mol
LogP-0.27
Rot. Bonds5

About methyl 3-[4-(2-methoxy-2-oxoethyl)-3-methylpiperazin-1-yl]propanoate

methyl 3-[4-(2-methoxy-2-oxoethyl)-3-methylpiperazin-1-yl]propanoate (PubChem CID 75443753) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is methyl 3-[4-(2-methoxy-2-oxoethyl)-3-methylpiperazin-1-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[4-(2-methoxy-2-oxoethyl)-3-methylpiperazin-1-yl]propanoate
PubChem CID75443753
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Namemethyl 3-[4-(2-methoxy-2-oxoethyl)-3-methylpiperazin-1-yl]propanoate
SMILESCOC(=O)CCN1CCN(CC(=O)OC)C(C)C1
InChIInChI=1S/C12H22N2O4/c1-10-8-13(5-4-11(15)17-2)6-7-14(10)9-12(16)18-3/h10H,4-9H2,1-3H3
InChIKeyMXIVQVKQEYNPPL-UHFFFAOYSA-N
XLogP-0.27
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
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 3-[4-(2-methoxy-2-oxoethyl)-3-methylpiperazin-1-yl]propanoate?
The IUPAC name of methyl 3-[4-(2-methoxy-2-oxoethyl)-3-methylpiperazin-1-yl]propanoate (CID 75443753) is methyl 3-[4-(2-methoxy-2-oxoethyl)-3-methylpiperazin-1-yl]propanoate.
What is the SMILES notation for methyl 3-[4-(2-methoxy-2-oxoethyl)-3-methylpiperazin-1-yl]propanoate?
The canonical SMILES for methyl 3-[4-(2-methoxy-2-oxoethyl)-3-methylpiperazin-1-yl]propanoate is COC(=O)CCN1CCN(CC(=O)OC)C(C)C1.
What is the InChIKey of methyl 3-[4-(2-methoxy-2-oxoethyl)-3-methylpiperazin-1-yl]propanoate?
The InChIKey is MXIVQVKQEYNPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-10-8-13(5-4-11(15)17-2)6-7-14(10)9-12(16)18-3/h10H,4-9H2,1-3H3.
What are the key properties of methyl 3-[4-(2-methoxy-2-oxoethyl)-3-methylpiperazin-1-yl]propanoate?
methyl 3-[4-(2-methoxy-2-oxoethyl)-3-methylpiperazin-1-yl]propanoate has a molecular weight of 258.32 g/mol, XLogP of -0.27, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-(2-methoxy-2-oxoethyl)-3-methylpiperazin-1-yl]propanoate is sourced from PubChem (CID 75443753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).