ethyl 5-[(1-acetylpiperidine-4-carbonyl)amino]-4-carbamoyl-2-methylfuran-3-carboxylate

C17H23N3O6 — CID 108733749

IUPACethyl 5-[(1-acetylpiperidine-4-carbonyl)amino]-4-carbamoyl-2-methylfuran-3-carboxylate
SMILESCCOC(=O)c1c(C)oc(NC(=O)C2CCN(C(C)=O)CC2)c1C(N)=O
InChIInChI=1S/C17H23N3O6/c1-4-25-17(24)12-9(2)26-16(13(12)14(18)22)19-15(23)11-5-7-20(8-6-11)10(3)21/h11H,4-8H2,1-3H3,(H2,18,22)(H,19,23)
InChIKeyNKPDOXNJGHTZPS-UHFFFAOYSA-N
MW365.39 g/mol
LogP1.06
Rot. Bonds5

About ethyl 5-[(1-acetylpiperidine-4-carbonyl)amino]-4-carbamoyl-2-methylfuran-3-carboxylate

ethyl 5-[(1-acetylpiperidine-4-carbonyl)amino]-4-carbamoyl-2-methylfuran-3-carboxylate (PubChem CID 108733749) has the molecular formula C17H23N3O6 and a molecular weight of 365.39 g/mol. Its IUPAC name is ethyl 5-[(1-acetylpiperidine-4-carbonyl)amino]-4-carbamoyl-2-methylfuran-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(1-acetylpiperidine-4-carbonyl)amino]-4-carbamoyl-2-methylfuran-3-carboxylate
PubChem CID108733749
Molecular FormulaC17H23N3O6
Molecular Weight365.39 g/mol
Exact Mass365.16
IUPAC Nameethyl 5-[(1-acetylpiperidine-4-carbonyl)amino]-4-carbamoyl-2-methylfuran-3-carboxylate
SMILESCCOC(=O)c1c(C)oc(NC(=O)C2CCN(C(C)=O)CC2)c1C(N)=O
InChIInChI=1S/C17H23N3O6/c1-4-25-17(24)12-9(2)26-16(13(12)14(18)22)19-15(23)11-5-7-20(8-6-11)10(3)21/h11H,4-8H2,1-3H3,(H2,18,22)(H,19,23)
InChIKeyNKPDOXNJGHTZPS-UHFFFAOYSA-N
XLogP1.06
TPSA131.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 5-[(1-acetylpiperidine-4-carbonyl)amino]-4-carbamoyl-2-methylfuran-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-acetyl-2-[(1-acetylpiperidine-4-carbonyl)amino]-5-methylfuran-3-carboxylate
CID 108741022
diethyl 2-acetamido-5-methylfuran-3,4-dicarboxylate
CID 108739453
N-(4-acetyl-3-carbamoyl-5-methylfuran-2-yl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carboxamide
CID 108740727
diethyl 2-[(1-tert-butyl-5-oxopyrrolidine-3-carbonyl)amino]-5-methylfuran-3,4-dicarboxylate
CID 108762179
ethyl 2-[(1-acetylpiperidine-4-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 6465805
ethyl 4-carbamoyl-5-[[2-[(1S)-cyclohex-3-ene-1-carbonyl]oxyacetyl]amino]-2-methylfuran-3-carboxylate
CID 8566868
ethyl 4-carbamoyl-5-[[2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-2-methylfuran-3-carboxylate
CID 24592243
diethyl 2-(cyclohexylcarbamoylamino)-5-methylfuran-3,4-dicarboxylate
CID 108782631
ethyl 4-acetyl-5-methyl-2-[[2-(4-methylpiperidin-1-yl)acetyl]amino]furan-3-carboxylate
CID 8557699
diethyl 2-[[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-5-methylfuran-3,4-dicarboxylate
CID 108800125
ethyl 4-acetyl-2-(2-bromopropanoylamino)-5-methylfuran-3-carboxylate
CID 108763504
ethyl 4-carbamoyl-2-methyl-5-(thiophene-2-carbonylamino)furan-3-carboxylate
CID 108733797

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(1-acetylpiperidine-4-carbonyl)amino]-4-carbamoyl-2-methylfuran-3-carboxylate?
The IUPAC name of ethyl 5-[(1-acetylpiperidine-4-carbonyl)amino]-4-carbamoyl-2-methylfuran-3-carboxylate (CID 108733749) is ethyl 5-[(1-acetylpiperidine-4-carbonyl)amino]-4-carbamoyl-2-methylfuran-3-carboxylate.
What is the SMILES notation for ethyl 5-[(1-acetylpiperidine-4-carbonyl)amino]-4-carbamoyl-2-methylfuran-3-carboxylate?
The canonical SMILES for ethyl 5-[(1-acetylpiperidine-4-carbonyl)amino]-4-carbamoyl-2-methylfuran-3-carboxylate is CCOC(=O)c1c(C)oc(NC(=O)C2CCN(C(C)=O)CC2)c1C(N)=O.
What is the InChIKey of ethyl 5-[(1-acetylpiperidine-4-carbonyl)amino]-4-carbamoyl-2-methylfuran-3-carboxylate?
The InChIKey is NKPDOXNJGHTZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O6/c1-4-25-17(24)12-9(2)26-16(13(12)14(18)22)19-15(23)11-5-7-20(8-6-11)10(3)21/h11H,4-8H2,1-3H3,(H2,18,22)(H,19,23).
What are the key properties of ethyl 5-[(1-acetylpiperidine-4-carbonyl)amino]-4-carbamoyl-2-methylfuran-3-carboxylate?
ethyl 5-[(1-acetylpiperidine-4-carbonyl)amino]-4-carbamoyl-2-methylfuran-3-carboxylate has a molecular weight of 365.39 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(1-acetylpiperidine-4-carbonyl)amino]-4-carbamoyl-2-methylfuran-3-carboxylate is sourced from PubChem (CID 108733749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).