6-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-3,3-diphenyl-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]hexanamide

C40H45ClN4O3 — CID 139760885

About 6-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-3,3-diphenyl-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]hexanamide

6-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-3,3-diphenyl-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]hexanamide (PubChem CID 139760885) has the molecular formula C40H45ClN4O3 and a molecular weight of 665.28 g/mol. Its IUPAC name is 6-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-3,3-diphenyl-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]hexanamide.

Molecular Properties

• Compound Name: 6-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-3,3-diphenyl-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]hexanamide
• PubChem CID: 139760885
• Molecular Formula: C40H45ClN4O3
• Molecular Weight: 665.28 g/mol
• Exact Mass: 664.32
• IUPAC Name: 6-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-3,3-diphenyl-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]hexanamide
• SMILES: O=C(CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1)NC1CCN(C(=O)c2cccnc2)CC1
• InChI: InChI=1S/C40H45ClN4O3/c41-35-16-14-34(15-17-35)40(48)21-27-44(28-22-40)24-8-20-39(32-10-3-1-4-11-32,33-12-5-2-6-13-33)29-37(46)43-36-18-25-45(26-19-36)38(47)31-9-7-23-42-30-31/h1-7,9-17,23,30,36,48H,8,18-22,24-29H2,(H,43,46)
• InChIKey: PVPHCONLWJOCHT-UHFFFAOYSA-N
• XLogP: 6.60
• TPSA: 85.77 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	665.28
LogP ≤ 5	6.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-3,3-diphenyl-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]hexanamide?

The IUPAC name of 6-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-3,3-diphenyl-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]hexanamide (CID 139760885) is 6-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-3,3-diphenyl-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]hexanamide.

What is the SMILES notation for 6-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-3,3-diphenyl-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]hexanamide?

The canonical SMILES for 6-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-3,3-diphenyl-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]hexanamide is O=C(CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1)NC1CCN(C(=O)c2cccnc2)CC1.

What is the InChIKey of 6-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-3,3-diphenyl-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]hexanamide?

The InChIKey is PVPHCONLWJOCHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H45ClN4O3/c41-35-16-14-34(15-17-35)40(48)21-27-44(28-22-40)24-8-20-39(32-10-3-1-4-11-32,33-12-5-2-6-13-33)29-37(46)43-36-18-25-45(26-19-36)38(47)31-9-7-23-42-30-31/h1-7,9-17,23,30,36,48H,8,18-22,24-29H2,(H,43,46).

What are the key properties of 6-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-3,3-diphenyl-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]hexanamide?

6-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-3,3-diphenyl-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]hexanamide has a molecular weight of 665.28 g/mol, XLogP of 6.60, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-3,3-diphenyl-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]hexanamide is sourced from PubChem (CID 139760885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).