ethyl 4-[5-(methoxymethyl)furan-2-carbonyl]piperazine-1-carboxylate

C14H20N2O5 — CID 78833666

IUPACethyl 4-[5-(methoxymethyl)furan-2-carbonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2ccc(COC)o2)CC1
InChIInChI=1S/C14H20N2O5/c1-3-20-14(18)16-8-6-15(7-9-16)13(17)12-5-4-11(21-12)10-19-2/h4-5H,3,6-10H2,1-2H3
InChIKeyNJEYFIQVYDCWII-UHFFFAOYSA-N
MW296.32 g/mol
LogP1.34
Rot. Bonds4

About ethyl 4-[5-(methoxymethyl)furan-2-carbonyl]piperazine-1-carboxylate

ethyl 4-[5-(methoxymethyl)furan-2-carbonyl]piperazine-1-carboxylate (PubChem CID 78833666) has the molecular formula C14H20N2O5 and a molecular weight of 296.32 g/mol. Its IUPAC name is ethyl 4-[5-(methoxymethyl)furan-2-carbonyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[5-(methoxymethyl)furan-2-carbonyl]piperazine-1-carboxylate
PubChem CID78833666
Molecular FormulaC14H20N2O5
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Nameethyl 4-[5-(methoxymethyl)furan-2-carbonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2ccc(COC)o2)CC1
InChIInChI=1S/C14H20N2O5/c1-3-20-14(18)16-8-6-15(7-9-16)13(17)12-5-4-11(21-12)10-19-2/h4-5H,3,6-10H2,1-2H3
InChIKeyNJEYFIQVYDCWII-UHFFFAOYSA-N
XLogP1.34
TPSA72.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[5-(methoxymethyl)furan-2-carbonyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 78852997
[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-[5-(methoxymethyl)furan-2-yl]methanone
CID 78829498
ethyl 4-[4-(methoxymethyl)benzoyl]piperazine-1-carboxylate
CID 9173331
[5-(methoxymethyl)furan-2-yl]-[4-(thian-4-yl)piperazin-1-yl]methanone
CID 72871979
2-[4-[5-(methoxymethyl)furan-2-carbonyl]-1,4-diazepan-1-yl]-1-pyrrolidin-1-ylethanone
CID 78858877
[5-(methoxymethyl)furan-2-yl]-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 78882361
6-[5-(methoxymethyl)furan-2-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175089
(2R)-6-[5-(methoxymethyl)furan-2-carbonyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 129467286
ethyl 4-[5-[[benzyl-[(4-chlorophenyl)methyl]amino]methyl]furan-2-carbonyl]piperazine-1-carboxylate
CID 3376338
methyl 2-(4-chlorophenyl)-2-[4-[5-(methoxymethyl)furan-2-carbonyl]piperazin-1-yl]acetate
CID 78866443
[4-[5-(methoxymethyl)furan-2-carbonyl]piperazin-1-yl]-(4-phenylmethoxyphenyl)methanone
CID 78882516
N-[1-[5-(methoxymethyl)furan-2-carbonyl]piperidin-4-yl]propane-1-sulfonamide
CID 78867540

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[5-(methoxymethyl)furan-2-carbonyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[5-(methoxymethyl)furan-2-carbonyl]piperazine-1-carboxylate (CID 78833666) is ethyl 4-[5-(methoxymethyl)furan-2-carbonyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[5-(methoxymethyl)furan-2-carbonyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[5-(methoxymethyl)furan-2-carbonyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)c2ccc(COC)o2)CC1.
What is the InChIKey of ethyl 4-[5-(methoxymethyl)furan-2-carbonyl]piperazine-1-carboxylate?
The InChIKey is NJEYFIQVYDCWII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5/c1-3-20-14(18)16-8-6-15(7-9-16)13(17)12-5-4-11(21-12)10-19-2/h4-5H,3,6-10H2,1-2H3.
What are the key properties of ethyl 4-[5-(methoxymethyl)furan-2-carbonyl]piperazine-1-carboxylate?
ethyl 4-[5-(methoxymethyl)furan-2-carbonyl]piperazine-1-carboxylate has a molecular weight of 296.32 g/mol, XLogP of 1.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[5-(methoxymethyl)furan-2-carbonyl]piperazine-1-carboxylate is sourced from PubChem (CID 78833666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).