5-cyclopropyl-N-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]thieno[2,3-c]pyrrole-2-carboxamide

C22H32N4OS — CID 87054452

About 5-cyclopropyl-N-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]thieno[2,3-c]pyrrole-2-carboxamide

5-cyclopropyl-N-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]thieno[2,3-c]pyrrole-2-carboxamide (PubChem CID 87054452) has the molecular formula C22H32N4OS and a molecular weight of 400.59 g/mol. Its IUPAC name is 5-cyclopropyl-N-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]thieno[2,3-c]pyrrole-2-carboxamide.

Molecular Properties

• Compound Name: 5-cyclopropyl-N-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]thieno[2,3-c]pyrrole-2-carboxamide
• PubChem CID: 87054452
• Molecular Formula: C22H32N4OS
• Molecular Weight: 400.59 g/mol
• Exact Mass: 400.23
• IUPAC Name: 5-cyclopropyl-N-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]thieno[2,3-c]pyrrole-2-carboxamide
• SMILES: O=C(NCCN1CCC(N2CCCCC2)CC1)c1cc2cn(C3CC3)cc2s1
• InChI: InChI=1S/C22H32N4OS/c27-22(20-14-17-15-26(18-4-5-18)16-21(17)28-20)23-8-13-24-11-6-19(7-12-24)25-9-2-1-3-10-25/h14-16,18-19H,1-13H2,(H,23,27)
• InChIKey: HSUWJHWJKAEGEG-UHFFFAOYSA-N
• XLogP: 3.72
• TPSA: 40.51 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	400.59
LogP ≤ 5	3.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]thieno[2,3-c]pyrrole-2-carboxamide?

The IUPAC name of 5-cyclopropyl-N-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]thieno[2,3-c]pyrrole-2-carboxamide (CID 87054452) is 5-cyclopropyl-N-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]thieno[2,3-c]pyrrole-2-carboxamide.

What is the SMILES notation for 5-cyclopropyl-N-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]thieno[2,3-c]pyrrole-2-carboxamide?

The canonical SMILES for 5-cyclopropyl-N-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]thieno[2,3-c]pyrrole-2-carboxamide is O=C(NCCN1CCC(N2CCCCC2)CC1)c1cc2cn(C3CC3)cc2s1.

What is the InChIKey of 5-cyclopropyl-N-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]thieno[2,3-c]pyrrole-2-carboxamide?

The InChIKey is HSUWJHWJKAEGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4OS/c27-22(20-14-17-15-26(18-4-5-18)16-21(17)28-20)23-8-13-24-11-6-19(7-12-24)25-9-2-1-3-10-25/h14-16,18-19H,1-13H2,(H,23,27).

What are the key properties of 5-cyclopropyl-N-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]thieno[2,3-c]pyrrole-2-carboxamide?

5-cyclopropyl-N-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]thieno[2,3-c]pyrrole-2-carboxamide has a molecular weight of 400.59 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-cyclopropyl-N-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]thieno[2,3-c]pyrrole-2-carboxamide is sourced from PubChem (CID 87054452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).