4-amino-5-(cyclopropanecarbonyl)-2-(3-hydroxypiperidin-1-yl)thiophene-3-carboxamide

C14H19N3O3S — CID 103417514

IUPAC4-amino-5-(cyclopropanecarbonyl)-2-(3-hydroxypiperidin-1-yl)thiophene-3-carboxamide
SMILESNC(=O)c1c(N2CCCC(O)C2)sc(C(=O)C2CC2)c1N
InChIInChI=1S/C14H19N3O3S/c15-10-9(13(16)20)14(17-5-1-2-8(18)6-17)21-12(10)11(19)7-3-4-7/h7-8,18H,1-6,15H2,(H2,16,20)
InChIKeyWAWXNJXNIWPGNE-UHFFFAOYSA-N
MW309.39 g/mol
LogP0.98
Rot. Bonds4

About 4-amino-5-(cyclopropanecarbonyl)-2-(3-hydroxypiperidin-1-yl)thiophene-3-carboxamide

4-amino-5-(cyclopropanecarbonyl)-2-(3-hydroxypiperidin-1-yl)thiophene-3-carboxamide (PubChem CID 103417514) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is 4-amino-5-(cyclopropanecarbonyl)-2-(3-hydroxypiperidin-1-yl)thiophene-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-(cyclopropanecarbonyl)-2-(3-hydroxypiperidin-1-yl)thiophene-3-carboxamide
PubChem CID103417514
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC Name4-amino-5-(cyclopropanecarbonyl)-2-(3-hydroxypiperidin-1-yl)thiophene-3-carboxamide
SMILESNC(=O)c1c(N2CCCC(O)C2)sc(C(=O)C2CC2)c1N
InChIInChI=1S/C14H19N3O3S/c15-10-9(13(16)20)14(17-5-1-2-8(18)6-17)21-12(10)11(19)7-3-4-7/h7-8,18H,1-6,15H2,(H2,16,20)
InChIKeyWAWXNJXNIWPGNE-UHFFFAOYSA-N
XLogP0.98
TPSA109.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(cyclopropanecarbonyl)-2-(3-hydroxypiperidin-1-yl)thiophene-3-carboxamide?
The IUPAC name of 4-amino-5-(cyclopropanecarbonyl)-2-(3-hydroxypiperidin-1-yl)thiophene-3-carboxamide (CID 103417514) is 4-amino-5-(cyclopropanecarbonyl)-2-(3-hydroxypiperidin-1-yl)thiophene-3-carboxamide.
What is the SMILES notation for 4-amino-5-(cyclopropanecarbonyl)-2-(3-hydroxypiperidin-1-yl)thiophene-3-carboxamide?
The canonical SMILES for 4-amino-5-(cyclopropanecarbonyl)-2-(3-hydroxypiperidin-1-yl)thiophene-3-carboxamide is NC(=O)c1c(N2CCCC(O)C2)sc(C(=O)C2CC2)c1N.
What is the InChIKey of 4-amino-5-(cyclopropanecarbonyl)-2-(3-hydroxypiperidin-1-yl)thiophene-3-carboxamide?
The InChIKey is WAWXNJXNIWPGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c15-10-9(13(16)20)14(17-5-1-2-8(18)6-17)21-12(10)11(19)7-3-4-7/h7-8,18H,1-6,15H2,(H2,16,20).
What are the key properties of 4-amino-5-(cyclopropanecarbonyl)-2-(3-hydroxypiperidin-1-yl)thiophene-3-carboxamide?
4-amino-5-(cyclopropanecarbonyl)-2-(3-hydroxypiperidin-1-yl)thiophene-3-carboxamide has a molecular weight of 309.39 g/mol, XLogP of 0.98, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-(cyclopropanecarbonyl)-2-(3-hydroxypiperidin-1-yl)thiophene-3-carboxamide is sourced from PubChem (CID 103417514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).