N-[4,5-dimethyl-3-[(R)-piperidin-1-yl(pyridin-4-yl)methyl]thiophen-2-yl]thiophene-2-carboxamide

C22H25N3OS2 — CID 93478961

About N-[4,5-dimethyl-3-[(R)-piperidin-1-yl(pyridin-4-yl)methyl]thiophen-2-yl]thiophene-2-carboxamide

N-[4,5-dimethyl-3-[(R)-piperidin-1-yl(pyridin-4-yl)methyl]thiophen-2-yl]thiophene-2-carboxamide (PubChem CID 93478961) has the molecular formula C22H25N3OS2 and a molecular weight of 411.60 g/mol. Its IUPAC name is N-[4,5-dimethyl-3-[(R)-piperidin-1-yl(pyridin-4-yl)methyl]thiophen-2-yl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[4,5-dimethyl-3-[(R)-piperidin-1-yl(pyridin-4-yl)methyl]thiophen-2-yl]thiophene-2-carboxamide
• PubChem CID: 93478961
• Molecular Formula: C22H25N3OS2
• Molecular Weight: 411.60 g/mol
• Exact Mass: 411.14
• IUPAC Name: N-[4,5-dimethyl-3-[(R)-piperidin-1-yl(pyridin-4-yl)methyl]thiophen-2-yl]thiophene-2-carboxamide
• SMILES: Cc1sc(NC(=O)c2cccs2)c([C@@H](c2ccncc2)N2CCCCC2)c1C
• InChI: InChI=1S/C22H25N3OS2/c1-15-16(2)28-22(24-21(26)18-7-6-14-27-18)19(15)20(17-8-10-23-11-9-17)25-12-4-3-5-13-25/h6-11,14,20H,3-5,12-13H2,1-2H3,(H,24,26)/t20-/m1/s1
• InChIKey: LUIGLDSKEOQUQF-HXUWFJFHSA-N
• XLogP: 5.65
• TPSA: 45.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	411.60
LogP ≤ 5	5.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[4,5-dimethyl-3-[(R)-piperidin-1-yl(pyridin-4-yl)methyl]thiophen-2-yl]thiophene-2-carboxamide?

The IUPAC name of N-[4,5-dimethyl-3-[(R)-piperidin-1-yl(pyridin-4-yl)methyl]thiophen-2-yl]thiophene-2-carboxamide (CID 93478961) is N-[4,5-dimethyl-3-[(R)-piperidin-1-yl(pyridin-4-yl)methyl]thiophen-2-yl]thiophene-2-carboxamide.

What is the SMILES notation for N-[4,5-dimethyl-3-[(R)-piperidin-1-yl(pyridin-4-yl)methyl]thiophen-2-yl]thiophene-2-carboxamide?

The canonical SMILES for N-[4,5-dimethyl-3-[(R)-piperidin-1-yl(pyridin-4-yl)methyl]thiophen-2-yl]thiophene-2-carboxamide is Cc1sc(NC(=O)c2cccs2)c([C@@H](c2ccncc2)N2CCCCC2)c1C.

What is the InChIKey of N-[4,5-dimethyl-3-[(R)-piperidin-1-yl(pyridin-4-yl)methyl]thiophen-2-yl]thiophene-2-carboxamide?

The InChIKey is LUIGLDSKEOQUQF-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H25N3OS2/c1-15-16(2)28-22(24-21(26)18-7-6-14-27-18)19(15)20(17-8-10-23-11-9-17)25-12-4-3-5-13-25/h6-11,14,20H,3-5,12-13H2,1-2H3,(H,24,26)/t20-/m1/s1.

What are the key properties of N-[4,5-dimethyl-3-[(R)-piperidin-1-yl(pyridin-4-yl)methyl]thiophen-2-yl]thiophene-2-carboxamide?

N-[4,5-dimethyl-3-[(R)-piperidin-1-yl(pyridin-4-yl)methyl]thiophen-2-yl]thiophene-2-carboxamide has a molecular weight of 411.60 g/mol, XLogP of 5.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4,5-dimethyl-3-[(R)-piperidin-1-yl(pyridin-4-yl)methyl]thiophen-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 93478961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).