1-[[(4R)-1-(3-cyclohexyl-2-methylpropanoyl)-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-5-(4-hydroxypiperidine-1-carbonyl)-4-phenylpyridin-2-one

C35H49N3O5 — CID 139346973

About 1-[[(4R)-1-(3-cyclohexyl-2-methylpropanoyl)-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-5-(4-hydroxypiperidine-1-carbonyl)-4-phenylpyridin-2-one

1-[[(4R)-1-(3-cyclohexyl-2-methylpropanoyl)-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-5-(4-hydroxypiperidine-1-carbonyl)-4-phenylpyridin-2-one (PubChem CID 139346973) has the molecular formula C35H49N3O5 and a molecular weight of 591.79 g/mol. Its IUPAC name is 1-[[(4R)-1-(3-cyclohexyl-2-methylpropanoyl)-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-5-(4-hydroxypiperidine-1-carbonyl)-4-phenylpyridin-2-one.

Molecular Properties

• Compound Name: 1-[[(4R)-1-(3-cyclohexyl-2-methylpropanoyl)-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-5-(4-hydroxypiperidine-1-carbonyl)-4-phenylpyridin-2-one
• PubChem CID: 139346973
• Molecular Formula: C35H49N3O5
• Molecular Weight: 591.79 g/mol
• Exact Mass: 591.37
• IUPAC Name: 1-[[(4R)-1-(3-cyclohexyl-2-methylpropanoyl)-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-5-(4-hydroxypiperidine-1-carbonyl)-4-phenylpyridin-2-one
• SMILES: CC(CC1CCCCC1)C(=O)N1CC[C@](O)(Cn2cc(C(=O)N3CCC(O)CC3)c(-c3ccccc3)cc2=O)C(C)(C)C1
• InChI: InChI=1S/C35H49N3O5/c1-25(20-26-10-6-4-7-11-26)32(41)37-19-16-35(43,34(2,3)23-37)24-38-22-30(33(42)36-17-14-28(39)15-18-36)29(21-31(38)40)27-12-8-5-9-13-27/h5,8-9,12-13,21-22,25-26,28,39,43H,4,6-7,10-11,14-20,23-24H2,1-3H3/t25?,35-/m0/s1
• InChIKey: SNOFFMFKJRQOOB-KLVAMIKPSA-N
• XLogP: 4.71
• TPSA: 103.08 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	591.79
LogP ≤ 5	4.71
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[[(4R)-1-(3-cyclohexyl-2-methylpropanoyl)-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-5-(4-hydroxypiperidine-1-carbonyl)-4-phenylpyridin-2-one?

The IUPAC name of 1-[[(4R)-1-(3-cyclohexyl-2-methylpropanoyl)-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-5-(4-hydroxypiperidine-1-carbonyl)-4-phenylpyridin-2-one (CID 139346973) is 1-[[(4R)-1-(3-cyclohexyl-2-methylpropanoyl)-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-5-(4-hydroxypiperidine-1-carbonyl)-4-phenylpyridin-2-one.

What is the SMILES notation for 1-[[(4R)-1-(3-cyclohexyl-2-methylpropanoyl)-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-5-(4-hydroxypiperidine-1-carbonyl)-4-phenylpyridin-2-one?

The canonical SMILES for 1-[[(4R)-1-(3-cyclohexyl-2-methylpropanoyl)-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-5-(4-hydroxypiperidine-1-carbonyl)-4-phenylpyridin-2-one is CC(CC1CCCCC1)C(=O)N1CC[C@](O)(Cn2cc(C(=O)N3CCC(O)CC3)c(-c3ccccc3)cc2=O)C(C)(C)C1.

What is the InChIKey of 1-[[(4R)-1-(3-cyclohexyl-2-methylpropanoyl)-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-5-(4-hydroxypiperidine-1-carbonyl)-4-phenylpyridin-2-one?

The InChIKey is SNOFFMFKJRQOOB-KLVAMIKPSA-N. The full InChI is InChI=1S/C35H49N3O5/c1-25(20-26-10-6-4-7-11-26)32(41)37-19-16-35(43,34(2,3)23-37)24-38-22-30(33(42)36-17-14-28(39)15-18-36)29(21-31(38)40)27-12-8-5-9-13-27/h5,8-9,12-13,21-22,25-26,28,39,43H,4,6-7,10-11,14-20,23-24H2,1-3H3/t25?,35-/m0/s1.

What are the key properties of 1-[[(4R)-1-(3-cyclohexyl-2-methylpropanoyl)-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-5-(4-hydroxypiperidine-1-carbonyl)-4-phenylpyridin-2-one?

1-[[(4R)-1-(3-cyclohexyl-2-methylpropanoyl)-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-5-(4-hydroxypiperidine-1-carbonyl)-4-phenylpyridin-2-one has a molecular weight of 591.79 g/mol, XLogP of 4.71, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[(4R)-1-(3-cyclohexyl-2-methylpropanoyl)-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-5-(4-hydroxypiperidine-1-carbonyl)-4-phenylpyridin-2-one is sourced from PubChem (CID 139346973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).