2-(3-ethyl-3-methylcyclopentyl)-N-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]acetamide

C30H45FN2O2 — CID 143759148

About 2-(3-ethyl-3-methylcyclopentyl)-N-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]acetamide

2-(3-ethyl-3-methylcyclopentyl)-N-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]acetamide (PubChem CID 143759148) has the molecular formula C30H45FN2O2 and a molecular weight of 484.70 g/mol. Its IUPAC name is 2-(3-ethyl-3-methylcyclopentyl)-N-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]acetamide.

Molecular Properties

• Compound Name: 2-(3-ethyl-3-methylcyclopentyl)-N-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]acetamide
• PubChem CID: 143759148
• Molecular Formula: C30H45FN2O2
• Molecular Weight: 484.70 g/mol
• Exact Mass: 484.35
• IUPAC Name: 2-(3-ethyl-3-methylcyclopentyl)-N-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]acetamide
• SMILES: CCC1(C)CCC(CC(=O)NC2CCC(CCN3CCC(C(=O)c4ccc(F)cc4)CC3)CC2)C1
• InChI: InChI=1S/C30H45FN2O2/c1-3-30(2)16-12-23(21-30)20-28(34)32-27-10-4-22(5-11-27)13-17-33-18-14-25(15-19-33)29(35)24-6-8-26(31)9-7-24/h6-9,22-23,25,27H,3-5,10-21H2,1-2H3,(H,32,34)
• InChIKey: GOMZZLMZDBBYMC-UHFFFAOYSA-N
• XLogP: 6.39
• TPSA: 49.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	484.70
LogP ≤ 5	6.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-3-methylcyclopentyl)-N-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]acetamide?

The IUPAC name of 2-(3-ethyl-3-methylcyclopentyl)-N-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]acetamide (CID 143759148) is 2-(3-ethyl-3-methylcyclopentyl)-N-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]acetamide.

What is the SMILES notation for 2-(3-ethyl-3-methylcyclopentyl)-N-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]acetamide?

The canonical SMILES for 2-(3-ethyl-3-methylcyclopentyl)-N-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]acetamide is CCC1(C)CCC(CC(=O)NC2CCC(CCN3CCC(C(=O)c4ccc(F)cc4)CC3)CC2)C1.

What is the InChIKey of 2-(3-ethyl-3-methylcyclopentyl)-N-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]acetamide?

The InChIKey is GOMZZLMZDBBYMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H45FN2O2/c1-3-30(2)16-12-23(21-30)20-28(34)32-27-10-4-22(5-11-27)13-17-33-18-14-25(15-19-33)29(35)24-6-8-26(31)9-7-24/h6-9,22-23,25,27H,3-5,10-21H2,1-2H3,(H,32,34).

What are the key properties of 2-(3-ethyl-3-methylcyclopentyl)-N-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]acetamide?

2-(3-ethyl-3-methylcyclopentyl)-N-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]acetamide has a molecular weight of 484.70 g/mol, XLogP of 6.39, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-ethyl-3-methylcyclopentyl)-N-[4-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]cyclohexyl]acetamide is sourced from PubChem (CID 143759148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).