ethyl 5-acetyl-4-amino-2-(3-methylpiperidin-1-yl)thiophene-3-carboxylate

C15H22N2O3S — CID 103419474

IUPACethyl 5-acetyl-4-amino-2-(3-methylpiperidin-1-yl)thiophene-3-carboxylate
SMILESCCOC(=O)c1c(N2CCCC(C)C2)sc(C(C)=O)c1N
InChIInChI=1S/C15H22N2O3S/c1-4-20-15(19)11-12(16)13(10(3)18)21-14(11)17-7-5-6-9(2)8-17/h9H,4-8,16H2,1-3H3
InChIKeyLHCCYPSIQFYIKG-UHFFFAOYSA-N
MW310.42 g/mol
LogP2.95
Rot. Bonds4

About ethyl 5-acetyl-4-amino-2-(3-methylpiperidin-1-yl)thiophene-3-carboxylate

ethyl 5-acetyl-4-amino-2-(3-methylpiperidin-1-yl)thiophene-3-carboxylate (PubChem CID 103419474) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is ethyl 5-acetyl-4-amino-2-(3-methylpiperidin-1-yl)thiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-acetyl-4-amino-2-(3-methylpiperidin-1-yl)thiophene-3-carboxylate
PubChem CID103419474
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Nameethyl 5-acetyl-4-amino-2-(3-methylpiperidin-1-yl)thiophene-3-carboxylate
SMILESCCOC(=O)c1c(N2CCCC(C)C2)sc(C(C)=O)c1N
InChIInChI=1S/C15H22N2O3S/c1-4-20-15(19)11-12(16)13(10(3)18)21-14(11)17-7-5-6-9(2)8-17/h9H,4-8,16H2,1-3H3
InChIKeyLHCCYPSIQFYIKG-UHFFFAOYSA-N
XLogP2.95
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 3-amino-4-carbamoyl-5-(3-methylpiperidin-1-yl)thiophene-2-carboxylate
CID 103419510
ethyl 5-acetyl-4-amino-2-(3,4-dihydroxypyrrolidin-1-yl)thiophene-3-carboxylate
CID 106675035
ethyl 5-acetyl-4-amino-2-(1,4-oxazepan-4-yl)thiophene-3-carboxylate
CID 103421769
ethyl 4-amino-5-carbamoyl-2-(4-methylpiperidin-1-yl)thiophene-3-carboxylate
CID 103418841
methyl 5-acetyl-4-amino-2-(3,4-dimethylpiperidin-1-yl)thiophene-3-carboxylate
CID 103507212
methyl 5-acetyl-4-amino-2-(3-hydroxypyrrolidin-1-yl)thiophene-3-carboxylate
CID 103421580
ethyl 4-methyl-2-(3-methylpiperidin-1-yl)-1,3-thiazole-5-carboxylate
CID 60528785
ethyl 3-amino-4-methoxy-5-(4-methylazepan-1-yl)thiophene-2-carboxylate
CID 103422055
4-O-ethyl 2-O-methyl 3-amino-5-thiomorpholin-4-ylthiophene-2,4-dicarboxylate
CID 103418425
ethyl 4-amino-5-carbamoyl-2-thiomorpholin-4-ylthiophene-3-carboxylate
CID 103418440
ethyl 4-acetyl-3-methyl-5-pyrrolidin-1-ylthiophene-2-carboxylate
CID 102162758
5-acetyl-4-amino-2-(4-methylpiperidin-1-yl)thiophene-3-carboxamide
CID 103418844

Frequently Asked Questions

What is the IUPAC name of ethyl 5-acetyl-4-amino-2-(3-methylpiperidin-1-yl)thiophene-3-carboxylate?
The IUPAC name of ethyl 5-acetyl-4-amino-2-(3-methylpiperidin-1-yl)thiophene-3-carboxylate (CID 103419474) is ethyl 5-acetyl-4-amino-2-(3-methylpiperidin-1-yl)thiophene-3-carboxylate.
What is the SMILES notation for ethyl 5-acetyl-4-amino-2-(3-methylpiperidin-1-yl)thiophene-3-carboxylate?
The canonical SMILES for ethyl 5-acetyl-4-amino-2-(3-methylpiperidin-1-yl)thiophene-3-carboxylate is CCOC(=O)c1c(N2CCCC(C)C2)sc(C(C)=O)c1N.
What is the InChIKey of ethyl 5-acetyl-4-amino-2-(3-methylpiperidin-1-yl)thiophene-3-carboxylate?
The InChIKey is LHCCYPSIQFYIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-4-20-15(19)11-12(16)13(10(3)18)21-14(11)17-7-5-6-9(2)8-17/h9H,4-8,16H2,1-3H3.
What are the key properties of ethyl 5-acetyl-4-amino-2-(3-methylpiperidin-1-yl)thiophene-3-carboxylate?
ethyl 5-acetyl-4-amino-2-(3-methylpiperidin-1-yl)thiophene-3-carboxylate has a molecular weight of 310.42 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-acetyl-4-amino-2-(3-methylpiperidin-1-yl)thiophene-3-carboxylate is sourced from PubChem (CID 103419474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).