3-amino-4-methoxy-5-(3-methoxypiperidin-1-yl)thiophene-2-carboxamide

C12H19N3O3S — CID 103507599

IUPAC3-amino-4-methoxy-5-(3-methoxypiperidin-1-yl)thiophene-2-carboxamide
SMILESCOc1c(N2CCCC(OC)C2)sc(C(N)=O)c1N
InChIInChI=1S/C12H19N3O3S/c1-17-7-4-3-5-15(6-7)12-9(18-2)8(13)10(19-12)11(14)16/h7H,3-6,13H2,1-2H3,(H2,14,16)
InChIKeyUGTUCFFUFLUFTG-UHFFFAOYSA-N
MW285.37 g/mol
LogP1.05
Rot. Bonds4

About 3-amino-4-methoxy-5-(3-methoxypiperidin-1-yl)thiophene-2-carboxamide

3-amino-4-methoxy-5-(3-methoxypiperidin-1-yl)thiophene-2-carboxamide (PubChem CID 103507599) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 3-amino-4-methoxy-5-(3-methoxypiperidin-1-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-methoxy-5-(3-methoxypiperidin-1-yl)thiophene-2-carboxamide
PubChem CID103507599
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name3-amino-4-methoxy-5-(3-methoxypiperidin-1-yl)thiophene-2-carboxamide
SMILESCOc1c(N2CCCC(OC)C2)sc(C(N)=O)c1N
InChIInChI=1S/C12H19N3O3S/c1-17-7-4-3-5-15(6-7)12-9(18-2)8(13)10(19-12)11(14)16/h7H,3-6,13H2,1-2H3,(H2,14,16)
InChIKeyUGTUCFFUFLUFTG-UHFFFAOYSA-N
XLogP1.05
TPSA90.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methoxy-5-(3-methoxypiperidin-1-yl)thiophene-2-carboxamide?
The IUPAC name of 3-amino-4-methoxy-5-(3-methoxypiperidin-1-yl)thiophene-2-carboxamide (CID 103507599) is 3-amino-4-methoxy-5-(3-methoxypiperidin-1-yl)thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-4-methoxy-5-(3-methoxypiperidin-1-yl)thiophene-2-carboxamide?
The canonical SMILES for 3-amino-4-methoxy-5-(3-methoxypiperidin-1-yl)thiophene-2-carboxamide is COc1c(N2CCCC(OC)C2)sc(C(N)=O)c1N.
What is the InChIKey of 3-amino-4-methoxy-5-(3-methoxypiperidin-1-yl)thiophene-2-carboxamide?
The InChIKey is UGTUCFFUFLUFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-17-7-4-3-5-15(6-7)12-9(18-2)8(13)10(19-12)11(14)16/h7H,3-6,13H2,1-2H3,(H2,14,16).
What are the key properties of 3-amino-4-methoxy-5-(3-methoxypiperidin-1-yl)thiophene-2-carboxamide?
3-amino-4-methoxy-5-(3-methoxypiperidin-1-yl)thiophene-2-carboxamide has a molecular weight of 285.37 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methoxy-5-(3-methoxypiperidin-1-yl)thiophene-2-carboxamide is sourced from PubChem (CID 103507599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).