ethyl 4-methyl-5-(piperidine-1-carbonyl)-2-(propanoylamino)thiophene-3-carboxylate

C17H24N2O4S — CID 3449568

IUPACethyl 4-methyl-5-(piperidine-1-carbonyl)-2-(propanoylamino)thiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)CC)sc(C(=O)N2CCCCC2)c1C
InChIInChI=1S/C17H24N2O4S/c1-4-12(20)18-15-13(17(22)23-5-2)11(3)14(24-15)16(21)19-9-7-6-8-10-19/h4-10H2,1-3H3,(H,18,20)
InChIKeyYGYYSFGCTFMKOC-UHFFFAOYSA-N
MW352.46 g/mol
LogP3.21
Rot. Bonds5

About ethyl 4-methyl-5-(piperidine-1-carbonyl)-2-(propanoylamino)thiophene-3-carboxylate

ethyl 4-methyl-5-(piperidine-1-carbonyl)-2-(propanoylamino)thiophene-3-carboxylate (PubChem CID 3449568) has the molecular formula C17H24N2O4S and a molecular weight of 352.46 g/mol. Its IUPAC name is ethyl 4-methyl-5-(piperidine-1-carbonyl)-2-(propanoylamino)thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-5-(piperidine-1-carbonyl)-2-(propanoylamino)thiophene-3-carboxylate
PubChem CID3449568
Molecular FormulaC17H24N2O4S
Molecular Weight352.46 g/mol
Exact Mass352.15
IUPAC Nameethyl 4-methyl-5-(piperidine-1-carbonyl)-2-(propanoylamino)thiophene-3-carboxylate
SMILESCCOC(=O)c1c(NC(=O)CC)sc(C(=O)N2CCCCC2)c1C
InChIInChI=1S/C17H24N2O4S/c1-4-12(20)18-15-13(17(22)23-5-2)11(3)14(24-15)16(21)19-9-7-6-8-10-19/h4-10H2,1-3H3,(H,18,20)
InChIKeyYGYYSFGCTFMKOC-UHFFFAOYSA-N
XLogP3.21
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 4-methyl-5-(piperidine-1-carbonyl)-2-(propanoylamino)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 4,5-dimethyl-2-[(piperidin-1-ylacetyl)amino]thiophene-3-carboxylate
CID 691671
6-tert-butyl 3-ethyl 2-amino-4H,5H,6H,7H-thieno(2,3-c)pyridine-3,6-dicarboxylate
CID 2794740
N-propyl-2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
CID 68909935
Diethyl 5-acetamido-3-methylthiophene-2,4-dicarboxylate
CID 291812
Ethyl 5-carbamoyl-4-methyl-2-(perfluorobenzamido)thiophene-3-carboxylate
CID 2164122
Thieno(2,3-c)pyridine-3-carboxylic acid, 4,5,6,7-tetrahydro-6-acetyl-6-amino-, ethyl ester
CID 212358
Ethyl 2-amino-6-methyl-4,5,6,7-tetrahydrothieno(2,3-c)pyridine-3-carboxylate
CID 207319
Diethyl 2-[(Thiophen-2-Ylacetyl)amino]-4,7-Dihydrothieno[2,3-C]pyridine-3,6(5h)-Dicarboxylate
CID 30515311
2-Ethyl 4-methyl 5-[(methoxycarbonyl)amino]-3-methyl-2,4-thiophenedicarboxylate
CID 1246494
2-Acetylamino-4-methyl-5-(morpholine-4-carbonyl)-thiophene-3-carboxylic acid methyl ester
CID 829075
Methyl 2-amino-4-methyl-5-(phenethylcarbamoyl)thiophene-3-carboxylate
CID 2231873
Ethyl 2-{[(tert-butylamino)carbonyl]amino}-6-methyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
CID 2810964

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-5-(piperidine-1-carbonyl)-2-(propanoylamino)thiophene-3-carboxylate?
The IUPAC name of ethyl 4-methyl-5-(piperidine-1-carbonyl)-2-(propanoylamino)thiophene-3-carboxylate (CID 3449568) is ethyl 4-methyl-5-(piperidine-1-carbonyl)-2-(propanoylamino)thiophene-3-carboxylate.
What is the SMILES notation for ethyl 4-methyl-5-(piperidine-1-carbonyl)-2-(propanoylamino)thiophene-3-carboxylate?
The canonical SMILES for ethyl 4-methyl-5-(piperidine-1-carbonyl)-2-(propanoylamino)thiophene-3-carboxylate is CCOC(=O)c1c(NC(=O)CC)sc(C(=O)N2CCCCC2)c1C.
What is the InChIKey of ethyl 4-methyl-5-(piperidine-1-carbonyl)-2-(propanoylamino)thiophene-3-carboxylate?
The InChIKey is YGYYSFGCTFMKOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4S/c1-4-12(20)18-15-13(17(22)23-5-2)11(3)14(24-15)16(21)19-9-7-6-8-10-19/h4-10H2,1-3H3,(H,18,20).
What are the key properties of ethyl 4-methyl-5-(piperidine-1-carbonyl)-2-(propanoylamino)thiophene-3-carboxylate?
ethyl 4-methyl-5-(piperidine-1-carbonyl)-2-(propanoylamino)thiophene-3-carboxylate has a molecular weight of 352.46 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-5-(piperidine-1-carbonyl)-2-(propanoylamino)thiophene-3-carboxylate is sourced from PubChem (CID 3449568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).