4-[3-(4-hydroxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carbonyl]-1-propan-2-ylpyrrolidin-2-one

C24H35N3O3 — CID 143644249

About 4-[3-(4-hydroxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carbonyl]-1-propan-2-ylpyrrolidin-2-one

4-[3-(4-hydroxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carbonyl]-1-propan-2-ylpyrrolidin-2-one (PubChem CID 143644249) has the molecular formula C24H35N3O3 and a molecular weight of 413.56 g/mol. Its IUPAC name is 4-[3-(4-hydroxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carbonyl]-1-propan-2-ylpyrrolidin-2-one.

Molecular Properties

• Compound Name: 4-[3-(4-hydroxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carbonyl]-1-propan-2-ylpyrrolidin-2-one
• PubChem CID: 143644249
• Molecular Formula: C24H35N3O3
• Molecular Weight: 413.56 g/mol
• Exact Mass: 413.27
• IUPAC Name: 4-[3-(4-hydroxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carbonyl]-1-propan-2-ylpyrrolidin-2-one
• SMILES: CC(C)N1CC(C(=O)N2CCC3(CC2)CN(C(C)C)C3c2ccc(O)cc2)CC1=O
• InChI: InChI=1S/C24H35N3O3/c1-16(2)26-14-19(13-21(26)29)23(30)25-11-9-24(10-12-25)15-27(17(3)4)22(24)18-5-7-20(28)8-6-18/h5-8,16-17,19,22,28H,9-15H2,1-4H3
• InChIKey: HSXWBZPMJPLRGO-UHFFFAOYSA-N
• XLogP: 3.02
• TPSA: 64.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	413.56
LogP ≤ 5	3.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-hydroxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carbonyl]-1-propan-2-ylpyrrolidin-2-one?

The IUPAC name of 4-[3-(4-hydroxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carbonyl]-1-propan-2-ylpyrrolidin-2-one (CID 143644249) is 4-[3-(4-hydroxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carbonyl]-1-propan-2-ylpyrrolidin-2-one.

What is the SMILES notation for 4-[3-(4-hydroxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carbonyl]-1-propan-2-ylpyrrolidin-2-one?

The canonical SMILES for 4-[3-(4-hydroxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carbonyl]-1-propan-2-ylpyrrolidin-2-one is CC(C)N1CC(C(=O)N2CCC3(CC2)CN(C(C)C)C3c2ccc(O)cc2)CC1=O.

What is the InChIKey of 4-[3-(4-hydroxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carbonyl]-1-propan-2-ylpyrrolidin-2-one?

The InChIKey is HSXWBZPMJPLRGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35N3O3/c1-16(2)26-14-19(13-21(26)29)23(30)25-11-9-24(10-12-25)15-27(17(3)4)22(24)18-5-7-20(28)8-6-18/h5-8,16-17,19,22,28H,9-15H2,1-4H3.

What are the key properties of 4-[3-(4-hydroxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carbonyl]-1-propan-2-ylpyrrolidin-2-one?

4-[3-(4-hydroxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carbonyl]-1-propan-2-ylpyrrolidin-2-one has a molecular weight of 413.56 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-(4-hydroxyphenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carbonyl]-1-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 143644249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).