1-[[(10R)-7-(3-cyclohexyl-2-methylpropanoyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-cyclopropyl-5-(piperazine-1-carbonyl)pyridin-2-one

C33H50N4O4 — CID 139347070

About 1-[[(10R)-7-(3-cyclohexyl-2-methylpropanoyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-cyclopropyl-5-(piperazine-1-carbonyl)pyridin-2-one

1-[[(10R)-7-(3-cyclohexyl-2-methylpropanoyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-cyclopropyl-5-(piperazine-1-carbonyl)pyridin-2-one (PubChem CID 139347070) has the molecular formula C33H50N4O4 and a molecular weight of 566.79 g/mol. Its IUPAC name is 1-[[(10R)-7-(3-cyclohexyl-2-methylpropanoyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-cyclopropyl-5-(piperazine-1-carbonyl)pyridin-2-one.

Molecular Properties

• Compound Name: 1-[[(10R)-7-(3-cyclohexyl-2-methylpropanoyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-cyclopropyl-5-(piperazine-1-carbonyl)pyridin-2-one
• PubChem CID: 139347070
• Molecular Formula: C33H50N4O4
• Molecular Weight: 566.79 g/mol
• Exact Mass: 566.38
• IUPAC Name: 1-[[(10R)-7-(3-cyclohexyl-2-methylpropanoyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-cyclopropyl-5-(piperazine-1-carbonyl)pyridin-2-one
• SMILES: CC(CC1CCCCC1)C(=O)N1CC[C@](O)(Cn2cc(C(=O)N3CCNCC3)c(C3CC3)cc2=O)C2(CCCC2)C1
• InChI: InChI=1S/C33H50N4O4/c1-24(19-25-7-3-2-4-8-25)30(39)36-16-13-33(41,32(22-36)11-5-6-12-32)23-37-21-28(27(20-29(37)38)26-9-10-26)31(40)35-17-14-34-15-18-35/h20-21,24-26,34,41H,2-19,22-23H2,1H3/t24?,33-/m0/s1
• InChIKey: OVAGKSJENCXFAE-RULBIBMZSA-N
• XLogP: 3.90
• TPSA: 94.88 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	566.79
LogP ≤ 5	3.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[[(10R)-7-(3-cyclohexyl-2-methylpropanoyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-cyclopropyl-5-(piperazine-1-carbonyl)pyridin-2-one?

The IUPAC name of 1-[[(10R)-7-(3-cyclohexyl-2-methylpropanoyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-cyclopropyl-5-(piperazine-1-carbonyl)pyridin-2-one (CID 139347070) is 1-[[(10R)-7-(3-cyclohexyl-2-methylpropanoyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-cyclopropyl-5-(piperazine-1-carbonyl)pyridin-2-one.

What is the SMILES notation for 1-[[(10R)-7-(3-cyclohexyl-2-methylpropanoyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-cyclopropyl-5-(piperazine-1-carbonyl)pyridin-2-one?

The canonical SMILES for 1-[[(10R)-7-(3-cyclohexyl-2-methylpropanoyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-cyclopropyl-5-(piperazine-1-carbonyl)pyridin-2-one is CC(CC1CCCCC1)C(=O)N1CC[C@](O)(Cn2cc(C(=O)N3CCNCC3)c(C3CC3)cc2=O)C2(CCCC2)C1.

What is the InChIKey of 1-[[(10R)-7-(3-cyclohexyl-2-methylpropanoyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-cyclopropyl-5-(piperazine-1-carbonyl)pyridin-2-one?

The InChIKey is OVAGKSJENCXFAE-RULBIBMZSA-N. The full InChI is InChI=1S/C33H50N4O4/c1-24(19-25-7-3-2-4-8-25)30(39)36-16-13-33(41,32(22-36)11-5-6-12-32)23-37-21-28(27(20-29(37)38)26-9-10-26)31(40)35-17-14-34-15-18-35/h20-21,24-26,34,41H,2-19,22-23H2,1H3/t24?,33-/m0/s1.

What are the key properties of 1-[[(10R)-7-(3-cyclohexyl-2-methylpropanoyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-cyclopropyl-5-(piperazine-1-carbonyl)pyridin-2-one?

1-[[(10R)-7-(3-cyclohexyl-2-methylpropanoyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-cyclopropyl-5-(piperazine-1-carbonyl)pyridin-2-one has a molecular weight of 566.79 g/mol, XLogP of 3.90, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[(10R)-7-(3-cyclohexyl-2-methylpropanoyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-cyclopropyl-5-(piperazine-1-carbonyl)pyridin-2-one is sourced from PubChem (CID 139347070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).