N-[5-hydroxy-2-(piperidin-3-ylcarbamoyl)phenyl]thiophene-2-carboxamide

C17H19N3O3S — CID 44628802

IUPACN-[5-hydroxy-2-(piperidin-3-ylcarbamoyl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1cc(O)ccc1C(=O)NC1CCCNC1)c1cccs1
InChIInChI=1S/C17H19N3O3S/c21-12-5-6-13(16(22)19-11-3-1-7-18-10-11)14(9-12)20-17(23)15-4-2-8-24-15/h2,4-6,8-9,11,18,21H,1,3,7,10H2,(H,19,22)(H,20,23)
InChIKeyHCDYZIZXEZAMPG-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.19
Rot. Bonds4

About N-[5-hydroxy-2-(piperidin-3-ylcarbamoyl)phenyl]thiophene-2-carboxamide

N-[5-hydroxy-2-(piperidin-3-ylcarbamoyl)phenyl]thiophene-2-carboxamide (PubChem CID 44628802) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is N-[5-hydroxy-2-(piperidin-3-ylcarbamoyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-hydroxy-2-(piperidin-3-ylcarbamoyl)phenyl]thiophene-2-carboxamide
PubChem CID44628802
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC NameN-[5-hydroxy-2-(piperidin-3-ylcarbamoyl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1cc(O)ccc1C(=O)NC1CCCNC1)c1cccs1
InChIInChI=1S/C17H19N3O3S/c21-12-5-6-13(16(22)19-11-3-1-7-18-10-11)14(9-12)20-17(23)15-4-2-8-24-15/h2,4-6,8-9,11,18,21H,1,3,7,10H2,(H,19,22)(H,20,23)
InChIKeyHCDYZIZXEZAMPG-UHFFFAOYSA-N
XLogP2.19
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-hydroxy-2-(piperidin-3-ylcarbamoyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[5-hydroxy-2-(piperidin-3-ylcarbamoyl)phenyl]thiophene-2-carboxamide (CID 44628802) is N-[5-hydroxy-2-(piperidin-3-ylcarbamoyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[5-hydroxy-2-(piperidin-3-ylcarbamoyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[5-hydroxy-2-(piperidin-3-ylcarbamoyl)phenyl]thiophene-2-carboxamide is O=C(Nc1cc(O)ccc1C(=O)NC1CCCNC1)c1cccs1.
What is the InChIKey of N-[5-hydroxy-2-(piperidin-3-ylcarbamoyl)phenyl]thiophene-2-carboxamide?
The InChIKey is HCDYZIZXEZAMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c21-12-5-6-13(16(22)19-11-3-1-7-18-10-11)14(9-12)20-17(23)15-4-2-8-24-15/h2,4-6,8-9,11,18,21H,1,3,7,10H2,(H,19,22)(H,20,23).
What are the key properties of N-[5-hydroxy-2-(piperidin-3-ylcarbamoyl)phenyl]thiophene-2-carboxamide?
N-[5-hydroxy-2-(piperidin-3-ylcarbamoyl)phenyl]thiophene-2-carboxamide has a molecular weight of 345.42 g/mol, XLogP of 2.19, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-hydroxy-2-(piperidin-3-ylcarbamoyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 44628802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).