N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide

C21H25N3O2S — CID 18228022

About N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide

N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (PubChem CID 18228022) has the molecular formula C21H25N3O2S and a molecular weight of 383.52 g/mol. Its IUPAC name is N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.

Molecular Properties

• Compound Name: N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
• PubChem CID: 18228022
• Molecular Formula: C21H25N3O2S
• Molecular Weight: 383.52 g/mol
• Exact Mass: 383.17
• IUPAC Name: N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
• SMILES: O=C(NCc1ccc(C(=O)N2CCCCC2)cc1)N1CCc2sccc2C1
• InChI: InChI=1S/C21H25N3O2S/c25-20(23-10-2-1-3-11-23)17-6-4-16(5-7-17)14-22-21(26)24-12-8-19-18(15-24)9-13-27-19/h4-7,9,13H,1-3,8,10-12,14-15H2,(H,22,26)
• InChIKey: RKGJVRCJJALWFC-UHFFFAOYSA-N
• XLogP: 3.64
• TPSA: 52.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.52
LogP ≤ 5	3.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?

The IUPAC name of N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide (CID 18228022) is N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide.

What is the SMILES notation for N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?

The canonical SMILES for N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is O=C(NCc1ccc(C(=O)N2CCCCC2)cc1)N1CCc2sccc2C1.

What is the InChIKey of N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?

The InChIKey is RKGJVRCJJALWFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2S/c25-20(23-10-2-1-3-11-23)17-6-4-16(5-7-17)14-22-21(26)24-12-8-19-18(15-24)9-13-27-19/h4-7,9,13H,1-3,8,10-12,14-15H2,(H,22,26).

What are the key properties of N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide?

N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide has a molecular weight of 383.52 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide is sourced from PubChem (CID 18228022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).