1-acetyl-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-propan-2-ylphenyl)ethyl]piperidine-3-carboxamide

C26H35N3O2S — CID 112827014

About 1-acetyl-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-propan-2-ylphenyl)ethyl]piperidine-3-carboxamide

1-acetyl-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-propan-2-ylphenyl)ethyl]piperidine-3-carboxamide (PubChem CID 112827014) has the molecular formula C26H35N3O2S and a molecular weight of 453.65 g/mol. Its IUPAC name is 1-acetyl-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-propan-2-ylphenyl)ethyl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-acetyl-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-propan-2-ylphenyl)ethyl]piperidine-3-carboxamide
• PubChem CID: 112827014
• Molecular Formula: C26H35N3O2S
• Molecular Weight: 453.65 g/mol
• Exact Mass: 453.24
• IUPAC Name: 1-acetyl-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-propan-2-ylphenyl)ethyl]piperidine-3-carboxamide
• SMILES: CC(=O)N1CCCC(C(=O)NCC(c2ccc(C(C)C)cc2)N2CCc3sccc3C2)C1
• InChI: InChI=1S/C26H35N3O2S/c1-18(2)20-6-8-21(9-7-20)24(29-13-10-25-22(16-29)11-14-32-25)15-27-26(31)23-5-4-12-28(17-23)19(3)30/h6-9,11,14,18,23-24H,4-5,10,12-13,15-17H2,1-3H3,(H,27,31)
• InChIKey: FHJLXYWKDNFLEV-UHFFFAOYSA-N
• XLogP: 4.35
• TPSA: 52.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	453.65
LogP ≤ 5	4.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-propan-2-ylphenyl)ethyl]piperidine-3-carboxamide?

The IUPAC name of 1-acetyl-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-propan-2-ylphenyl)ethyl]piperidine-3-carboxamide (CID 112827014) is 1-acetyl-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-propan-2-ylphenyl)ethyl]piperidine-3-carboxamide.

What is the SMILES notation for 1-acetyl-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-propan-2-ylphenyl)ethyl]piperidine-3-carboxamide?

The canonical SMILES for 1-acetyl-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-propan-2-ylphenyl)ethyl]piperidine-3-carboxamide is CC(=O)N1CCCC(C(=O)NCC(c2ccc(C(C)C)cc2)N2CCc3sccc3C2)C1.

What is the InChIKey of 1-acetyl-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-propan-2-ylphenyl)ethyl]piperidine-3-carboxamide?

The InChIKey is FHJLXYWKDNFLEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O2S/c1-18(2)20-6-8-21(9-7-20)24(29-13-10-25-22(16-29)11-14-32-25)15-27-26(31)23-5-4-12-28(17-23)19(3)30/h6-9,11,14,18,23-24H,4-5,10,12-13,15-17H2,1-3H3,(H,27,31).

What are the key properties of 1-acetyl-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-propan-2-ylphenyl)ethyl]piperidine-3-carboxamide?

1-acetyl-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-propan-2-ylphenyl)ethyl]piperidine-3-carboxamide has a molecular weight of 453.65 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-acetyl-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-propan-2-ylphenyl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 112827014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).