ethyl 4-acetyl-5-methyl-2-[[2-(4-methylpiperidin-1-yl)acetyl]amino]furan-3-carboxylate

C18H26N2O5 — CID 8557699

IUPACethyl 4-acetyl-5-methyl-2-[[2-(4-methylpiperidin-1-yl)acetyl]amino]furan-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)CN2CCC(C)CC2)oc(C)c1C(C)=O
InChIInChI=1S/C18H26N2O5/c1-5-24-18(23)16-15(12(3)21)13(4)25-17(16)19-14(22)10-20-8-6-11(2)7-9-20/h11H,5-10H2,1-4H3,(H,19,22)
InChIKeyFCPVYDDVPCIUPG-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.64
Rot. Bonds6

About ethyl 4-acetyl-5-methyl-2-[[2-(4-methylpiperidin-1-yl)acetyl]amino]furan-3-carboxylate

ethyl 4-acetyl-5-methyl-2-[[2-(4-methylpiperidin-1-yl)acetyl]amino]furan-3-carboxylate (PubChem CID 8557699) has the molecular formula C18H26N2O5 and a molecular weight of 350.42 g/mol. Its IUPAC name is ethyl 4-acetyl-5-methyl-2-[[2-(4-methylpiperidin-1-yl)acetyl]amino]furan-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-acetyl-5-methyl-2-[[2-(4-methylpiperidin-1-yl)acetyl]amino]furan-3-carboxylate
PubChem CID8557699
Molecular FormulaC18H26N2O5
Molecular Weight350.42 g/mol
Exact Mass350.18
IUPAC Nameethyl 4-acetyl-5-methyl-2-[[2-(4-methylpiperidin-1-yl)acetyl]amino]furan-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)CN2CCC(C)CC2)oc(C)c1C(C)=O
InChIInChI=1S/C18H26N2O5/c1-5-24-18(23)16-15(12(3)21)13(4)25-17(16)19-14(22)10-20-8-6-11(2)7-9-20/h11H,5-10H2,1-4H3,(H,19,22)
InChIKeyFCPVYDDVPCIUPG-UHFFFAOYSA-N
XLogP2.64
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-acetyl-2-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]acetyl]amino]-5-methylfuran-3-carboxylate
CID 40856188
ethyl 4-acetyl-2-[(1-acetylpiperidine-4-carbonyl)amino]-5-methylfuran-3-carboxylate
CID 108741022
ethyl 4-acetyl-2-[(2-cyanoacetyl)amino]-5-methylfuran-3-carboxylate
CID 108763526
diethyl 2-acetamido-5-methylfuran-3,4-dicarboxylate
CID 108739453
ethyl 5-carbamoyl-4-methyl-2-[[2-(4-methylpiperidin-1-yl)acetyl]amino]thiophene-3-carboxylate
CID 17379662
ethyl 4-acetyl-2-[[2-[(1S)-cyclohex-3-ene-1-carbonyl]oxyacetyl]amino]-5-methylfuran-3-carboxylate
CID 8639630
ethyl 4-acetyl-2-[[2-[(1R)-cyclohex-3-ene-1-carbonyl]oxyacetyl]amino]-5-methylfuran-3-carboxylate
CID 8639625
ethyl 4-acetyl-2-(cyclohexylcarbamothioylamino)-5-methylfuran-3-carboxylate
CID 108782926
[2-[(4-acetyl-3-ethoxycarbonyl-5-methylfuran-2-yl)amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate
CID 30565474
ethyl 4-acetyl-5-methyl-2-[[2-[2-(2-oxoazepan-1-yl)acetyl]oxyacetyl]amino]furan-3-carboxylate
CID 8603134
ethyl 4-acetyl-5-methyl-2-[3-(4-methylphenoxy)propanoylamino]furan-3-carboxylate
CID 108802798
ethyl 4-acetyl-2-[[2-[2-[(1S)-cyclopent-2-en-1-yl]acetyl]oxyacetyl]amino]-5-methylfuran-3-carboxylate
CID 8925586

Frequently Asked Questions

What is the IUPAC name of ethyl 4-acetyl-5-methyl-2-[[2-(4-methylpiperidin-1-yl)acetyl]amino]furan-3-carboxylate?
The IUPAC name of ethyl 4-acetyl-5-methyl-2-[[2-(4-methylpiperidin-1-yl)acetyl]amino]furan-3-carboxylate (CID 8557699) is ethyl 4-acetyl-5-methyl-2-[[2-(4-methylpiperidin-1-yl)acetyl]amino]furan-3-carboxylate.
What is the SMILES notation for ethyl 4-acetyl-5-methyl-2-[[2-(4-methylpiperidin-1-yl)acetyl]amino]furan-3-carboxylate?
The canonical SMILES for ethyl 4-acetyl-5-methyl-2-[[2-(4-methylpiperidin-1-yl)acetyl]amino]furan-3-carboxylate is CCOC(=O)c1c(NC(=O)CN2CCC(C)CC2)oc(C)c1C(C)=O.
What is the InChIKey of ethyl 4-acetyl-5-methyl-2-[[2-(4-methylpiperidin-1-yl)acetyl]amino]furan-3-carboxylate?
The InChIKey is FCPVYDDVPCIUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O5/c1-5-24-18(23)16-15(12(3)21)13(4)25-17(16)19-14(22)10-20-8-6-11(2)7-9-20/h11H,5-10H2,1-4H3,(H,19,22).
What are the key properties of ethyl 4-acetyl-5-methyl-2-[[2-(4-methylpiperidin-1-yl)acetyl]amino]furan-3-carboxylate?
ethyl 4-acetyl-5-methyl-2-[[2-(4-methylpiperidin-1-yl)acetyl]amino]furan-3-carboxylate has a molecular weight of 350.42 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-acetyl-5-methyl-2-[[2-(4-methylpiperidin-1-yl)acetyl]amino]furan-3-carboxylate is sourced from PubChem (CID 8557699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).