methyl 2-[4-(furan-2-carbonyl)piperazin-1-yl]acetate

C12H16N2O4 — CID 6465571

IUPACmethyl 2-[4-(furan-2-carbonyl)piperazin-1-yl]acetate
SMILESCOC(=O)CN1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C12H16N2O4/c1-17-11(15)9-13-4-6-14(7-5-13)12(16)10-3-2-8-18-10/h2-3,8H,4-7,9H2,1H3
InChIKeyCERLEZCDZUWRHG-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.21
Rot. Bonds3

About methyl 2-[4-(furan-2-carbonyl)piperazin-1-yl]acetate

methyl 2-[4-(furan-2-carbonyl)piperazin-1-yl]acetate (PubChem CID 6465571) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is methyl 2-[4-(furan-2-carbonyl)piperazin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(furan-2-carbonyl)piperazin-1-yl]acetate
PubChem CID6465571
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Namemethyl 2-[4-(furan-2-carbonyl)piperazin-1-yl]acetate
SMILESCOC(=O)CN1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C12H16N2O4/c1-17-11(15)9-13-4-6-14(7-5-13)12(16)10-3-2-8-18-10/h2-3,8H,4-7,9H2,1H3
InChIKeyCERLEZCDZUWRHG-UHFFFAOYSA-N
XLogP0.21
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(furan-2-carbonyl)piperazin-1-yl]acetate?
The IUPAC name of methyl 2-[4-(furan-2-carbonyl)piperazin-1-yl]acetate (CID 6465571) is methyl 2-[4-(furan-2-carbonyl)piperazin-1-yl]acetate.
What is the SMILES notation for methyl 2-[4-(furan-2-carbonyl)piperazin-1-yl]acetate?
The canonical SMILES for methyl 2-[4-(furan-2-carbonyl)piperazin-1-yl]acetate is COC(=O)CN1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of methyl 2-[4-(furan-2-carbonyl)piperazin-1-yl]acetate?
The InChIKey is CERLEZCDZUWRHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-17-11(15)9-13-4-6-14(7-5-13)12(16)10-3-2-8-18-10/h2-3,8H,4-7,9H2,1H3.
What are the key properties of methyl 2-[4-(furan-2-carbonyl)piperazin-1-yl]acetate?
methyl 2-[4-(furan-2-carbonyl)piperazin-1-yl]acetate has a molecular weight of 252.27 g/mol, XLogP of 0.21, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(furan-2-carbonyl)piperazin-1-yl]acetate is sourced from PubChem (CID 6465571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).