ethyl 2-[(6-oxopiperidine-3-carbonyl)amino]thiophene-3-carboxylate

C13H16N2O4S — CID 112729095

IUPACethyl 2-[(6-oxopiperidine-3-carbonyl)amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1ccsc1NC(=O)C1CCC(=O)NC1
InChIInChI=1S/C13H16N2O4S/c1-2-19-13(18)9-5-6-20-12(9)15-11(17)8-3-4-10(16)14-7-8/h5-6,8H,2-4,7H2,1H3,(H,14,16)(H,15,17)
InChIKeyQKTZLIXVIQYSGM-UHFFFAOYSA-N
MW296.35 g/mol
LogP1.39
Rot. Bonds4

About ethyl 2-[(6-oxopiperidine-3-carbonyl)amino]thiophene-3-carboxylate

ethyl 2-[(6-oxopiperidine-3-carbonyl)amino]thiophene-3-carboxylate (PubChem CID 112729095) has the molecular formula C13H16N2O4S and a molecular weight of 296.35 g/mol. Its IUPAC name is ethyl 2-[(6-oxopiperidine-3-carbonyl)amino]thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(6-oxopiperidine-3-carbonyl)amino]thiophene-3-carboxylate
PubChem CID112729095
Molecular FormulaC13H16N2O4S
Molecular Weight296.35 g/mol
Exact Mass296.08
IUPAC Nameethyl 2-[(6-oxopiperidine-3-carbonyl)amino]thiophene-3-carboxylate
SMILESCCOC(=O)c1ccsc1NC(=O)C1CCC(=O)NC1
InChIInChI=1S/C13H16N2O4S/c1-2-19-13(18)9-5-6-20-12(9)15-11(17)8-3-4-10(16)14-7-8/h5-6,8H,2-4,7H2,1H3,(H,14,16)(H,15,17)
InChIKeyQKTZLIXVIQYSGM-UHFFFAOYSA-N
XLogP1.39
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[(6-oxopiperidine-3-carbonyl)amino]thiophene-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 2-[(6-oxopiperidine-3-carbonyl)amino]benzoate
CID 112729067
ethyl 2-[(5-oxopiperazine-2-carbonyl)amino]thiophene-3-carboxylate
CID 107435879
ethyl 2-(pyrrolidine-2-carbonylamino)thiophene-3-carboxylate
CID 60717312
N-(3-cyanothiophen-2-yl)-6-oxopiperidine-3-carboxamide
CID 112729096
ethyl 2-[(4-aminocyclopent-2-ene-1-carbonyl)amino]thiophene-3-carboxylate
CID 79207789
6-[(3-ethoxycarbonylthiophen-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 6465288
ethyl 2-[(1-thiophen-2-ylsulfonylpiperidine-4-carbonyl)amino]thiophene-3-carboxylate
CID 41100010
(1S,2S,3R,4S)-3-[(3-ethoxycarbonylthiophen-2-yl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 18557780
ethyl 2-(3-chloropropanoylamino)thiophene-3-carboxylate
CID 43236535
ethyl 2-(2-hydroxyethoxycarbonylamino)thiophene-3-carboxylate
CID 79345757
ethyl 2-(3-bromopropanoylamino)thiophene-3-carboxylate
CID 115571598
ethyl 2-[[1-(4-methylphenyl)sulfonylpiperidine-3-carbonyl]amino]thiophene-3-carboxylate
CID 16862934

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(6-oxopiperidine-3-carbonyl)amino]thiophene-3-carboxylate?
The IUPAC name of ethyl 2-[(6-oxopiperidine-3-carbonyl)amino]thiophene-3-carboxylate (CID 112729095) is ethyl 2-[(6-oxopiperidine-3-carbonyl)amino]thiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-[(6-oxopiperidine-3-carbonyl)amino]thiophene-3-carboxylate?
The canonical SMILES for ethyl 2-[(6-oxopiperidine-3-carbonyl)amino]thiophene-3-carboxylate is CCOC(=O)c1ccsc1NC(=O)C1CCC(=O)NC1.
What is the InChIKey of ethyl 2-[(6-oxopiperidine-3-carbonyl)amino]thiophene-3-carboxylate?
The InChIKey is QKTZLIXVIQYSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4S/c1-2-19-13(18)9-5-6-20-12(9)15-11(17)8-3-4-10(16)14-7-8/h5-6,8H,2-4,7H2,1H3,(H,14,16)(H,15,17).
What are the key properties of ethyl 2-[(6-oxopiperidine-3-carbonyl)amino]thiophene-3-carboxylate?
ethyl 2-[(6-oxopiperidine-3-carbonyl)amino]thiophene-3-carboxylate has a molecular weight of 296.35 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(6-oxopiperidine-3-carbonyl)amino]thiophene-3-carboxylate is sourced from PubChem (CID 112729095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).