ethyl 5-methyl-2-(piperidine-1-carbonylamino)thiophene-3-carboxylate

C14H20N2O3S — CID 79155647

IUPACethyl 5-methyl-2-(piperidine-1-carbonylamino)thiophene-3-carboxylate
SMILESCCOC(=O)c1cc(C)sc1NC(=O)N1CCCCC1
InChIInChI=1S/C14H20N2O3S/c1-3-19-13(17)11-9-10(2)20-12(11)15-14(18)16-7-5-4-6-8-16/h9H,3-8H2,1-2H3,(H,15,18)
InChIKeyULSHMRPGBTYNBD-UHFFFAOYSA-N
MW296.39 g/mol
LogP3.25
Rot. Bonds3

About ethyl 5-methyl-2-(piperidine-1-carbonylamino)thiophene-3-carboxylate

ethyl 5-methyl-2-(piperidine-1-carbonylamino)thiophene-3-carboxylate (PubChem CID 79155647) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is ethyl 5-methyl-2-(piperidine-1-carbonylamino)thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-2-(piperidine-1-carbonylamino)thiophene-3-carboxylate
PubChem CID79155647
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Nameethyl 5-methyl-2-(piperidine-1-carbonylamino)thiophene-3-carboxylate
SMILESCCOC(=O)c1cc(C)sc1NC(=O)N1CCCCC1
InChIInChI=1S/C14H20N2O3S/c1-3-19-13(17)11-9-10(2)20-12(11)15-14(18)16-7-5-4-6-8-16/h9H,3-8H2,1-2H3,(H,15,18)
InChIKeyULSHMRPGBTYNBD-UHFFFAOYSA-N
XLogP3.25
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 5-methyl-2-(pyrrolidine-1-carbonylamino)thiophene-3-carboxylate
CID 79161946
(3S,4S)-1-[(3-ethoxycarbonyl-5-methylthiophen-2-yl)carbamoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122087824
ethyl 2-[(2-aminoacetyl)amino]-5-methylthiophene-3-carboxylate
CID 63619076
ethyl 5-methyl-2-[[2-(4-methylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxylate
CID 22197629
ethyl 2-[(1-aminocyclopropanecarbonyl)amino]-5-methylthiophene-3-carboxylate
CID 65457704
ethyl 5-(azepane-1-carbonylamino)-3-methylthiophene-2-carboxylate
CID 78990945
ethyl 2-[(2-amino-2-methylpropanoyl)amino]-5-methylthiophene-3-carboxylate
CID 63618036
1-[(5-tert-butyl-3-ethoxycarbonylthiophen-2-yl)carbamoyl]piperidine-4-carboxylic acid
CID 122087926
4-[(3-ethoxycarbonyl-5-methylthiophen-2-yl)amino]-4-oxobutanoic acid
CID 831651
ethyl 5-methyl-2-(propylcarbamoylamino)thiophene-3-carboxylate
CID 63616856
2-[2-[(3-ethoxycarbonyl-5-methylthiophen-2-yl)amino]-2-oxoethyl]sulfanylacetic acid
CID 104569937
ethyl 2-(2-bromobutanoylamino)-5-methylthiophene-3-carboxylate
CID 63617193

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-2-(piperidine-1-carbonylamino)thiophene-3-carboxylate?
The IUPAC name of ethyl 5-methyl-2-(piperidine-1-carbonylamino)thiophene-3-carboxylate (CID 79155647) is ethyl 5-methyl-2-(piperidine-1-carbonylamino)thiophene-3-carboxylate.
What is the SMILES notation for ethyl 5-methyl-2-(piperidine-1-carbonylamino)thiophene-3-carboxylate?
The canonical SMILES for ethyl 5-methyl-2-(piperidine-1-carbonylamino)thiophene-3-carboxylate is CCOC(=O)c1cc(C)sc1NC(=O)N1CCCCC1.
What is the InChIKey of ethyl 5-methyl-2-(piperidine-1-carbonylamino)thiophene-3-carboxylate?
The InChIKey is ULSHMRPGBTYNBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-3-19-13(17)11-9-10(2)20-12(11)15-14(18)16-7-5-4-6-8-16/h9H,3-8H2,1-2H3,(H,15,18).
What are the key properties of ethyl 5-methyl-2-(piperidine-1-carbonylamino)thiophene-3-carboxylate?
ethyl 5-methyl-2-(piperidine-1-carbonylamino)thiophene-3-carboxylate has a molecular weight of 296.39 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-2-(piperidine-1-carbonylamino)thiophene-3-carboxylate is sourced from PubChem (CID 79155647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).