N-[4-[1-(4-chlorobenzoyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide

C24H26ClN3O2S — CID 70983195

About N-[4-[1-(4-chlorobenzoyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide

N-[4-[1-(4-chlorobenzoyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide (PubChem CID 70983195) has the molecular formula C24H26ClN3O2S and a molecular weight of 456.01 g/mol. Its IUPAC name is N-[4-[1-(4-chlorobenzoyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-[1-(4-chlorobenzoyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide
• PubChem CID: 70983195
• Molecular Formula: C24H26ClN3O2S
• Molecular Weight: 456.01 g/mol
• Exact Mass: 455.14
• IUPAC Name: N-[4-[1-(4-chlorobenzoyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide
• SMILES: O=C(NCCCCC1CCN(C(=O)c2ccc(Cl)cc2)CC1)c1cc2ccncc2s1
• InChI: InChI=1S/C24H26ClN3O2S/c25-20-6-4-18(5-7-20)24(30)28-13-9-17(10-14-28)3-1-2-11-27-23(29)21-15-19-8-12-26-16-22(19)31-21/h4-8,12,15-17H,1-3,9-11,13-14H2,(H,27,29)
• InChIKey: NJZHXCNPCGKZKP-UHFFFAOYSA-N
• XLogP: 5.40
• TPSA: 62.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	456.01
LogP ≤ 5	5.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(4-chlorobenzoyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide?

The IUPAC name of N-[4-[1-(4-chlorobenzoyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide (CID 70983195) is N-[4-[1-(4-chlorobenzoyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide.

What is the SMILES notation for N-[4-[1-(4-chlorobenzoyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide?

The canonical SMILES for N-[4-[1-(4-chlorobenzoyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide is O=C(NCCCCC1CCN(C(=O)c2ccc(Cl)cc2)CC1)c1cc2ccncc2s1.

What is the InChIKey of N-[4-[1-(4-chlorobenzoyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide?

The InChIKey is NJZHXCNPCGKZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN3O2S/c25-20-6-4-18(5-7-20)24(30)28-13-9-17(10-14-28)3-1-2-11-27-23(29)21-15-19-8-12-26-16-22(19)31-21/h4-8,12,15-17H,1-3,9-11,13-14H2,(H,27,29).

What are the key properties of N-[4-[1-(4-chlorobenzoyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide?

N-[4-[1-(4-chlorobenzoyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide has a molecular weight of 456.01 g/mol, XLogP of 5.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[1-(4-chlorobenzoyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 70983195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).