methyl 5-[[4-[(5-methoxycarbonylfuran-2-yl)methyl]piperazin-1-yl]methyl]furan-2-carboxylate

C18H22N2O6 — CID 652979

IUPACmethyl 5-[[4-[(5-methoxycarbonylfuran-2-yl)methyl]piperazin-1-yl]methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(CN2CCN(Cc3ccc(C(=O)OC)o3)CC2)o1
InChIInChI=1S/C18H22N2O6/c1-23-17(21)15-5-3-13(25-15)11-19-7-9-20(10-8-19)12-14-4-6-16(26-14)18(22)24-2/h3-6H,7-12H2,1-2H3
InChIKeyXLYLYBYBDCLOKB-UHFFFAOYSA-N
MW362.38 g/mol
LogP1.76
Rot. Bonds6

About methyl 5-[[4-[(5-methoxycarbonylfuran-2-yl)methyl]piperazin-1-yl]methyl]furan-2-carboxylate

methyl 5-[[4-[(5-methoxycarbonylfuran-2-yl)methyl]piperazin-1-yl]methyl]furan-2-carboxylate (PubChem CID 652979) has the molecular formula C18H22N2O6 and a molecular weight of 362.38 g/mol. Its IUPAC name is methyl 5-[[4-[(5-methoxycarbonylfuran-2-yl)methyl]piperazin-1-yl]methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[4-[(5-methoxycarbonylfuran-2-yl)methyl]piperazin-1-yl]methyl]furan-2-carboxylate
PubChem CID652979
Molecular FormulaC18H22N2O6
Molecular Weight362.38 g/mol
Exact Mass362.15
IUPAC Namemethyl 5-[[4-[(5-methoxycarbonylfuran-2-yl)methyl]piperazin-1-yl]methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(CN2CCN(Cc3ccc(C(=O)OC)o3)CC2)o1
InChIInChI=1S/C18H22N2O6/c1-23-17(21)15-5-3-13(25-15)11-19-7-9-20(10-8-19)12-14-4-6-16(26-14)18(22)24-2/h3-6H,7-12H2,1-2H3
InChIKeyXLYLYBYBDCLOKB-UHFFFAOYSA-N
XLogP1.76
TPSA85.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methyl 5-[[4-[(5-methoxycarbonylfuran-2-yl)methyl]piperazin-1-yl]methyl]furan-2-carboxylate with MolForge

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Related Compounds

methyl 5-[[4-(4-hydroxyphenyl)piperazin-1-yl]methyl]furan-2-carboxylate
CID 8689991
methyl 5-[[4-(1-aminoethyl)piperidin-1-yl]methyl]furan-2-carboxylate
CID 63596044
methyl 5-[[4-(1H-pyrazol-5-ylmethyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate
CID 3868569
methyl 5-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]furan-2-carboxylate
CID 8742717
methyl 5-[[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]methyl]furan-2-carboxylate
CID 9436318
methyl 5-[[4-(5-chloro-2-methylphenyl)piperazin-1-yl]methyl]furan-2-carboxylate
CID 8591079
methyl 5-[[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]methyl]furan-2-carboxylate
CID 78877473
methyl 5-[[3-(methylaminomethyl)piperidin-1-yl]methyl]furan-2-carboxylate
CID 61204990
methyl 5-[(4-amino-3-methylpiperidin-1-yl)methyl]furan-2-carboxylate
CID 79868617
methyl 5-[[4-(1-methylpyrrolidine-2-carbonyl)-1,4-diazepan-1-yl]methyl]furan-2-carboxylate
CID 3345183
methyl 5-[[2-(2-methoxy-2-oxoethyl)morpholin-4-yl]methyl]furan-2-carboxylate
CID 79827347
5-[(4-ethylpiperazin-1-yl)methyl]furan-2-carboxylic acid
CID 20992392

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[4-[(5-methoxycarbonylfuran-2-yl)methyl]piperazin-1-yl]methyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[[4-[(5-methoxycarbonylfuran-2-yl)methyl]piperazin-1-yl]methyl]furan-2-carboxylate (CID 652979) is methyl 5-[[4-[(5-methoxycarbonylfuran-2-yl)methyl]piperazin-1-yl]methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[[4-[(5-methoxycarbonylfuran-2-yl)methyl]piperazin-1-yl]methyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[[4-[(5-methoxycarbonylfuran-2-yl)methyl]piperazin-1-yl]methyl]furan-2-carboxylate is COC(=O)c1ccc(CN2CCN(Cc3ccc(C(=O)OC)o3)CC2)o1.
What is the InChIKey of methyl 5-[[4-[(5-methoxycarbonylfuran-2-yl)methyl]piperazin-1-yl]methyl]furan-2-carboxylate?
The InChIKey is XLYLYBYBDCLOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O6/c1-23-17(21)15-5-3-13(25-15)11-19-7-9-20(10-8-19)12-14-4-6-16(26-14)18(22)24-2/h3-6H,7-12H2,1-2H3.
What are the key properties of methyl 5-[[4-[(5-methoxycarbonylfuran-2-yl)methyl]piperazin-1-yl]methyl]furan-2-carboxylate?
methyl 5-[[4-[(5-methoxycarbonylfuran-2-yl)methyl]piperazin-1-yl]methyl]furan-2-carboxylate has a molecular weight of 362.38 g/mol, XLogP of 1.76, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[4-[(5-methoxycarbonylfuran-2-yl)methyl]piperazin-1-yl]methyl]furan-2-carboxylate is sourced from PubChem (CID 652979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).