methyl 3-amino-5-(4-methoxypiperidin-1-yl)thiophene-2-carboxylate

C12H18N2O3S — CID 103508852

IUPACmethyl 3-amino-5-(4-methoxypiperidin-1-yl)thiophene-2-carboxylate
SMILESCOC(=O)c1sc(N2CCC(OC)CC2)cc1N
InChIInChI=1S/C12H18N2O3S/c1-16-8-3-5-14(6-4-8)10-7-9(13)11(18-10)12(15)17-2/h7-8H,3-6,13H2,1-2H3
InChIKeyARQXTZGSKDEJJU-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.73
Rot. Bonds3

About methyl 3-amino-5-(4-methoxypiperidin-1-yl)thiophene-2-carboxylate

methyl 3-amino-5-(4-methoxypiperidin-1-yl)thiophene-2-carboxylate (PubChem CID 103508852) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is methyl 3-amino-5-(4-methoxypiperidin-1-yl)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-5-(4-methoxypiperidin-1-yl)thiophene-2-carboxylate
PubChem CID103508852
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Namemethyl 3-amino-5-(4-methoxypiperidin-1-yl)thiophene-2-carboxylate
SMILESCOC(=O)c1sc(N2CCC(OC)CC2)cc1N
InChIInChI=1S/C12H18N2O3S/c1-16-8-3-5-14(6-4-8)10-7-9(13)11(18-10)12(15)17-2/h7-8H,3-6,13H2,1-2H3
InChIKeyARQXTZGSKDEJJU-UHFFFAOYSA-N
XLogP1.73
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-amino-5-(3,4-dihydro-1H-isoquinolin-2-yl)thiophene-2-carboxylate
CID 103420034
1-[3-amino-5-(4-propan-2-ylazepan-1-yl)thiophen-2-yl]ethanone
CID 103422612
3-amino-5-[4-(1-hydroxyethyl)piperidin-1-yl]-N,N-dimethylthiophene-2-carboxamide
CID 106840059
methyl 3-amino-5-cyclododecylthiophene-2-carboxylate
CID 123337713
3-amino-N-cyclopropyl-5-pyrrolidin-1-ylthiophene-2-carboxamide
CID 103418986
1-(3-amino-5-piperidin-1-ylthiophen-2-yl)ethanone
CID 103419795
3-amino-N-cyclopropyl-5-(4-methylazepan-1-yl)thiophene-2-carboxamide
CID 103422093
methyl 3-methyl-5-morpholin-4-ylthiophene-2-carboxylate
CID 121224668
3-amino-5-(4-ethylpiperidin-1-yl)-N,N-dimethylthiophene-2-carboxamide
CID 103417971
1-[3-amino-5-(4-methylpiperazin-1-yl)thiophen-2-yl]ethanone
CID 103419290
3-amino-5-(4-methylpiperazin-1-yl)thiophene-2-carboxamide
CID 103419327
3-amino-N-methyl-5-morpholin-4-ylthiophene-2-carboxamide
CID 103419126

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-5-(4-methoxypiperidin-1-yl)thiophene-2-carboxylate?
The IUPAC name of methyl 3-amino-5-(4-methoxypiperidin-1-yl)thiophene-2-carboxylate (CID 103508852) is methyl 3-amino-5-(4-methoxypiperidin-1-yl)thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-amino-5-(4-methoxypiperidin-1-yl)thiophene-2-carboxylate?
The canonical SMILES for methyl 3-amino-5-(4-methoxypiperidin-1-yl)thiophene-2-carboxylate is COC(=O)c1sc(N2CCC(OC)CC2)cc1N.
What is the InChIKey of methyl 3-amino-5-(4-methoxypiperidin-1-yl)thiophene-2-carboxylate?
The InChIKey is ARQXTZGSKDEJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-16-8-3-5-14(6-4-8)10-7-9(13)11(18-10)12(15)17-2/h7-8H,3-6,13H2,1-2H3.
What are the key properties of methyl 3-amino-5-(4-methoxypiperidin-1-yl)thiophene-2-carboxylate?
methyl 3-amino-5-(4-methoxypiperidin-1-yl)thiophene-2-carboxylate has a molecular weight of 270.35 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-5-(4-methoxypiperidin-1-yl)thiophene-2-carboxylate is sourced from PubChem (CID 103508852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).