1-[3-amino-5-(4-ethylpiperidin-1-yl)-4-methoxythiophen-2-yl]propan-1-one

C15H24N2O2S — CID 103418027

IUPAC1-[3-amino-5-(4-ethylpiperidin-1-yl)-4-methoxythiophen-2-yl]propan-1-one
SMILESCCC(=O)c1sc(N2CCC(CC)CC2)c(OC)c1N
InChIInChI=1S/C15H24N2O2S/c1-4-10-6-8-17(9-7-10)15-13(19-3)12(16)14(20-15)11(18)5-2/h10H,4-9,16H2,1-3H3
InChIKeyNOCQVGDQERRZAT-UHFFFAOYSA-N
MW296.44 g/mol
LogP3.56
Rot. Bonds5

About 1-[3-amino-5-(4-ethylpiperidin-1-yl)-4-methoxythiophen-2-yl]propan-1-one

1-[3-amino-5-(4-ethylpiperidin-1-yl)-4-methoxythiophen-2-yl]propan-1-one (PubChem CID 103418027) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is 1-[3-amino-5-(4-ethylpiperidin-1-yl)-4-methoxythiophen-2-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-amino-5-(4-ethylpiperidin-1-yl)-4-methoxythiophen-2-yl]propan-1-one
PubChem CID103418027
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Name1-[3-amino-5-(4-ethylpiperidin-1-yl)-4-methoxythiophen-2-yl]propan-1-one
SMILESCCC(=O)c1sc(N2CCC(CC)CC2)c(OC)c1N
InChIInChI=1S/C15H24N2O2S/c1-4-10-6-8-17(9-7-10)15-13(19-3)12(16)14(20-15)11(18)5-2/h10H,4-9,16H2,1-3H3
InChIKeyNOCQVGDQERRZAT-UHFFFAOYSA-N
XLogP3.56
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-amino-5-(3-ethylpyrrolidin-1-yl)-4-methoxythiophene-2-carboxylate
CID 103506141
1-[3-amino-4-methoxy-5-(4-methyl-1,4-diazepan-1-yl)thiophen-2-yl]propan-1-one
CID 103420620
3-amino-N-ethyl-5-(3-ethylpyrrolidin-1-yl)-4-methoxythiophene-2-carboxamide
CID 103506114
3-amino-5-(4-aminopiperidin-1-yl)-N-ethyl-4-methoxythiophene-2-carboxamide
CID 103525626
methyl 3-amino-4-cyano-5-(4-ethylpiperidin-1-yl)thiophene-2-carboxylate
CID 103417965
ethyl 3-amino-4-methoxy-5-[3-(methoxymethyl)pyrrolidin-1-yl]thiophene-2-carboxylate
CID 103422661
methyl 3-amino-5-[4-(1-hydroxyethyl)piperidin-1-yl]-4-methoxythiophene-2-carboxylate
CID 106840044
3-amino-5-(3-aminopyrrolidin-1-yl)-4-methoxythiophene-2-carboxamide
CID 103525772
3-amino-5-(4-ethylazepan-1-yl)-4-methoxythiophene-2-carbonitrile
CID 103422587
ethyl 3-amino-4-methoxy-5-(4-methylazepan-1-yl)thiophene-2-carboxylate
CID 103422055
methyl 3-amino-4-methoxy-5-(3-propan-2-ylpyrrolidin-1-yl)thiophene-2-carboxylate
CID 103506297
methyl 3-amino-5-(2-ethylthiomorpholin-4-yl)-4-methoxythiophene-2-carboxylate
CID 103506526

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-5-(4-ethylpiperidin-1-yl)-4-methoxythiophen-2-yl]propan-1-one?
The IUPAC name of 1-[3-amino-5-(4-ethylpiperidin-1-yl)-4-methoxythiophen-2-yl]propan-1-one (CID 103418027) is 1-[3-amino-5-(4-ethylpiperidin-1-yl)-4-methoxythiophen-2-yl]propan-1-one.
What is the SMILES notation for 1-[3-amino-5-(4-ethylpiperidin-1-yl)-4-methoxythiophen-2-yl]propan-1-one?
The canonical SMILES for 1-[3-amino-5-(4-ethylpiperidin-1-yl)-4-methoxythiophen-2-yl]propan-1-one is CCC(=O)c1sc(N2CCC(CC)CC2)c(OC)c1N.
What is the InChIKey of 1-[3-amino-5-(4-ethylpiperidin-1-yl)-4-methoxythiophen-2-yl]propan-1-one?
The InChIKey is NOCQVGDQERRZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-4-10-6-8-17(9-7-10)15-13(19-3)12(16)14(20-15)11(18)5-2/h10H,4-9,16H2,1-3H3.
What are the key properties of 1-[3-amino-5-(4-ethylpiperidin-1-yl)-4-methoxythiophen-2-yl]propan-1-one?
1-[3-amino-5-(4-ethylpiperidin-1-yl)-4-methoxythiophen-2-yl]propan-1-one has a molecular weight of 296.44 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-5-(4-ethylpiperidin-1-yl)-4-methoxythiophen-2-yl]propan-1-one is sourced from PubChem (CID 103418027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).