2-cyclohexyloxy-N-[[3-methyl-4-[2-oxo-2-(4-piperidin-2-ylpiperazin-1-yl)ethyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]acetamide

C30H52N4O3 — CID 163169313

About 2-cyclohexyloxy-N-[[3-methyl-4-[2-oxo-2-(4-piperidin-2-ylpiperazin-1-yl)ethyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]acetamide

2-cyclohexyloxy-N-[[3-methyl-4-[2-oxo-2-(4-piperidin-2-ylpiperazin-1-yl)ethyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]acetamide (PubChem CID 163169313) has the molecular formula C30H52N4O3 and a molecular weight of 516.77 g/mol. Its IUPAC name is 2-cyclohexyloxy-N-[[3-methyl-4-[2-oxo-2-(4-piperidin-2-ylpiperazin-1-yl)ethyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]acetamide.

Molecular Properties

• Compound Name: 2-cyclohexyloxy-N-[[3-methyl-4-[2-oxo-2-(4-piperidin-2-ylpiperazin-1-yl)ethyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]acetamide
• PubChem CID: 163169313
• Molecular Formula: C30H52N4O3
• Molecular Weight: 516.77 g/mol
• Exact Mass: 516.40
• IUPAC Name: 2-cyclohexyloxy-N-[[3-methyl-4-[2-oxo-2-(4-piperidin-2-ylpiperazin-1-yl)ethyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]acetamide
• SMILES: CC1=CC(CNC(=O)COC2CCCCC2)C(C(C)C)CC1CC(=O)N1CCN(C2CCCCN2)CC1
• InChI: InChI=1S/C30H52N4O3/c1-22(2)27-18-24(19-30(36)34-15-13-33(14-16-34)28-11-7-8-12-31-28)23(3)17-25(27)20-32-29(35)21-37-26-9-5-4-6-10-26/h17,22,24-28,31H,4-16,18-21H2,1-3H3,(H,32,35)
• InChIKey: TWWIPEZEUWRKNW-UHFFFAOYSA-N
• XLogP: 3.94
• TPSA: 73.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	516.77
LogP ≤ 5	3.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyloxy-N-[[3-methyl-4-[2-oxo-2-(4-piperidin-2-ylpiperazin-1-yl)ethyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]acetamide?

The IUPAC name of 2-cyclohexyloxy-N-[[3-methyl-4-[2-oxo-2-(4-piperidin-2-ylpiperazin-1-yl)ethyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]acetamide (CID 163169313) is 2-cyclohexyloxy-N-[[3-methyl-4-[2-oxo-2-(4-piperidin-2-ylpiperazin-1-yl)ethyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]acetamide.

What is the SMILES notation for 2-cyclohexyloxy-N-[[3-methyl-4-[2-oxo-2-(4-piperidin-2-ylpiperazin-1-yl)ethyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]acetamide?

The canonical SMILES for 2-cyclohexyloxy-N-[[3-methyl-4-[2-oxo-2-(4-piperidin-2-ylpiperazin-1-yl)ethyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]acetamide is CC1=CC(CNC(=O)COC2CCCCC2)C(C(C)C)CC1CC(=O)N1CCN(C2CCCCN2)CC1.

What is the InChIKey of 2-cyclohexyloxy-N-[[3-methyl-4-[2-oxo-2-(4-piperidin-2-ylpiperazin-1-yl)ethyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]acetamide?

The InChIKey is TWWIPEZEUWRKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H52N4O3/c1-22(2)27-18-24(19-30(36)34-15-13-33(14-16-34)28-11-7-8-12-31-28)23(3)17-25(27)20-32-29(35)21-37-26-9-5-4-6-10-26/h17,22,24-28,31H,4-16,18-21H2,1-3H3,(H,32,35).

What are the key properties of 2-cyclohexyloxy-N-[[3-methyl-4-[2-oxo-2-(4-piperidin-2-ylpiperazin-1-yl)ethyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]acetamide?

2-cyclohexyloxy-N-[[3-methyl-4-[2-oxo-2-(4-piperidin-2-ylpiperazin-1-yl)ethyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]acetamide has a molecular weight of 516.77 g/mol, XLogP of 3.94, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclohexyloxy-N-[[3-methyl-4-[2-oxo-2-(4-piperidin-2-ylpiperazin-1-yl)ethyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]acetamide is sourced from PubChem (CID 163169313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).