ethane;2-(1-ethyl-4-hydroxy-2,6-dimethylpiperidin-4-yl)-1-[6-(4-propan-2-ylphenyl)-2,6-diazaspiro[3.3]heptan-2-yl]ethanone

C27H45N3O2 — CID 177010663

About ethane;2-(1-ethyl-4-hydroxy-2,6-dimethylpiperidin-4-yl)-1-[6-(4-propan-2-ylphenyl)-2,6-diazaspiro[3.3]heptan-2-yl]ethanone

ethane;2-(1-ethyl-4-hydroxy-2,6-dimethylpiperidin-4-yl)-1-[6-(4-propan-2-ylphenyl)-2,6-diazaspiro[3.3]heptan-2-yl]ethanone (PubChem CID 177010663) has the molecular formula C27H45N3O2 and a molecular weight of 443.68 g/mol. Its IUPAC name is ethane;2-(1-ethyl-4-hydroxy-2,6-dimethylpiperidin-4-yl)-1-[6-(4-propan-2-ylphenyl)-2,6-diazaspiro[3.3]heptan-2-yl]ethanone.

Molecular Properties

• Compound Name: ethane;2-(1-ethyl-4-hydroxy-2,6-dimethylpiperidin-4-yl)-1-[6-(4-propan-2-ylphenyl)-2,6-diazaspiro[3.3]heptan-2-yl]ethanone
• PubChem CID: 177010663
• Molecular Formula: C27H45N3O2
• Molecular Weight: 443.68 g/mol
• Exact Mass: 443.35
• IUPAC Name: ethane;2-(1-ethyl-4-hydroxy-2,6-dimethylpiperidin-4-yl)-1-[6-(4-propan-2-ylphenyl)-2,6-diazaspiro[3.3]heptan-2-yl]ethanone
• SMILES: CC.CCN1C(C)CC(O)(CC(=O)N2CC3(C2)CN(c2ccc(C(C)C)cc2)C3)CC1C
• InChI: InChI=1S/C25H39N3O2.C2H6/c1-6-28-19(4)11-25(30,12-20(28)5)13-23(29)27-16-24(17-27)14-26(15-24)22-9-7-21(8-10-22)18(2)3;1-2/h7-10,18-20,30H,6,11-17H2,1-5H3;1-2H3
• InChIKey: CWVICPYCZGGYOI-UHFFFAOYSA-N
• XLogP: 4.50
• TPSA: 47.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.68
LogP ≤ 5	4.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethane;2-(1-ethyl-4-hydroxy-2,6-dimethylpiperidin-4-yl)-1-[6-(4-propan-2-ylphenyl)-2,6-diazaspiro[3.3]heptan-2-yl]ethanone?

The IUPAC name of ethane;2-(1-ethyl-4-hydroxy-2,6-dimethylpiperidin-4-yl)-1-[6-(4-propan-2-ylphenyl)-2,6-diazaspiro[3.3]heptan-2-yl]ethanone (CID 177010663) is ethane;2-(1-ethyl-4-hydroxy-2,6-dimethylpiperidin-4-yl)-1-[6-(4-propan-2-ylphenyl)-2,6-diazaspiro[3.3]heptan-2-yl]ethanone.

What is the SMILES notation for ethane;2-(1-ethyl-4-hydroxy-2,6-dimethylpiperidin-4-yl)-1-[6-(4-propan-2-ylphenyl)-2,6-diazaspiro[3.3]heptan-2-yl]ethanone?

The canonical SMILES for ethane;2-(1-ethyl-4-hydroxy-2,6-dimethylpiperidin-4-yl)-1-[6-(4-propan-2-ylphenyl)-2,6-diazaspiro[3.3]heptan-2-yl]ethanone is CC.CCN1C(C)CC(O)(CC(=O)N2CC3(C2)CN(c2ccc(C(C)C)cc2)C3)CC1C.

What is the InChIKey of ethane;2-(1-ethyl-4-hydroxy-2,6-dimethylpiperidin-4-yl)-1-[6-(4-propan-2-ylphenyl)-2,6-diazaspiro[3.3]heptan-2-yl]ethanone?

The InChIKey is CWVICPYCZGGYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H39N3O2.C2H6/c1-6-28-19(4)11-25(30,12-20(28)5)13-23(29)27-16-24(17-27)14-26(15-24)22-9-7-21(8-10-22)18(2)3;1-2/h7-10,18-20,30H,6,11-17H2,1-5H3;1-2H3.

What are the key properties of ethane;2-(1-ethyl-4-hydroxy-2,6-dimethylpiperidin-4-yl)-1-[6-(4-propan-2-ylphenyl)-2,6-diazaspiro[3.3]heptan-2-yl]ethanone?

ethane;2-(1-ethyl-4-hydroxy-2,6-dimethylpiperidin-4-yl)-1-[6-(4-propan-2-ylphenyl)-2,6-diazaspiro[3.3]heptan-2-yl]ethanone has a molecular weight of 443.68 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;2-(1-ethyl-4-hydroxy-2,6-dimethylpiperidin-4-yl)-1-[6-(4-propan-2-ylphenyl)-2,6-diazaspiro[3.3]heptan-2-yl]ethanone is sourced from PubChem (CID 177010663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).