2-phenyl-4-[(3S)-piperidin-3-yl]oxythieno[3,2-c]pyridine-7-carboxamide

C19H19N3O2S — CID 69012280

IUPAC2-phenyl-4-[(3S)-piperidin-3-yl]oxythieno[3,2-c]pyridine-7-carboxamide
SMILESNC(=O)c1cnc(O[C@H]2CCCNC2)c2cc(-c3ccccc3)sc12
InChIInChI=1S/C19H19N3O2S/c20-18(23)15-11-22-19(24-13-7-4-8-21-10-13)14-9-16(25-17(14)15)12-5-2-1-3-6-12/h1-3,5-6,9,11,13,21H,4,7-8,10H2,(H2,20,23)/t13-/m0/s1
InChIKeyKZOSOTXLAKRUGU-ZDUSSCGKSA-N
MW353.45 g/mol
LogP3.19
Rot. Bonds4

About 2-phenyl-4-[(3S)-piperidin-3-yl]oxythieno[3,2-c]pyridine-7-carboxamide

2-phenyl-4-[(3S)-piperidin-3-yl]oxythieno[3,2-c]pyridine-7-carboxamide (PubChem CID 69012280) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is 2-phenyl-4-[(3S)-piperidin-3-yl]oxythieno[3,2-c]pyridine-7-carboxamide.

Molecular Properties

Compound Name2-phenyl-4-[(3S)-piperidin-3-yl]oxythieno[3,2-c]pyridine-7-carboxamide
PubChem CID69012280
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC Name2-phenyl-4-[(3S)-piperidin-3-yl]oxythieno[3,2-c]pyridine-7-carboxamide
SMILESNC(=O)c1cnc(O[C@H]2CCCNC2)c2cc(-c3ccccc3)sc12
InChIInChI=1S/C19H19N3O2S/c20-18(23)15-11-22-19(24-13-7-4-8-21-10-13)14-9-16(25-17(14)15)12-5-2-1-3-6-12/h1-3,5-6,9,11,13,21H,4,7-8,10H2,(H2,20,23)/t13-/m0/s1
InChIKeyKZOSOTXLAKRUGU-ZDUSSCGKSA-N
XLogP3.19
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-[(3S)-piperidin-3-yl]oxythieno[3,2-c]pyridine-7-carboxamide?
The IUPAC name of 2-phenyl-4-[(3S)-piperidin-3-yl]oxythieno[3,2-c]pyridine-7-carboxamide (CID 69012280) is 2-phenyl-4-[(3S)-piperidin-3-yl]oxythieno[3,2-c]pyridine-7-carboxamide.
What is the SMILES notation for 2-phenyl-4-[(3S)-piperidin-3-yl]oxythieno[3,2-c]pyridine-7-carboxamide?
The canonical SMILES for 2-phenyl-4-[(3S)-piperidin-3-yl]oxythieno[3,2-c]pyridine-7-carboxamide is NC(=O)c1cnc(O[C@H]2CCCNC2)c2cc(-c3ccccc3)sc12.
What is the InChIKey of 2-phenyl-4-[(3S)-piperidin-3-yl]oxythieno[3,2-c]pyridine-7-carboxamide?
The InChIKey is KZOSOTXLAKRUGU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H19N3O2S/c20-18(23)15-11-22-19(24-13-7-4-8-21-10-13)14-9-16(25-17(14)15)12-5-2-1-3-6-12/h1-3,5-6,9,11,13,21H,4,7-8,10H2,(H2,20,23)/t13-/m0/s1.
What are the key properties of 2-phenyl-4-[(3S)-piperidin-3-yl]oxythieno[3,2-c]pyridine-7-carboxamide?
2-phenyl-4-[(3S)-piperidin-3-yl]oxythieno[3,2-c]pyridine-7-carboxamide has a molecular weight of 353.45 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-[(3S)-piperidin-3-yl]oxythieno[3,2-c]pyridine-7-carboxamide is sourced from PubChem (CID 69012280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).