3-(1,3-benzodioxol-5-yl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-quinolin-5-yl-1,3-diazaspiro[4.5]decan-2-one;methyl 3-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzoate;methyl 4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzoate

C96H113N13O10 — CID 158437552

About 3-(1,3-benzodioxol-5-yl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-quinolin-5-yl-1,3-diazaspiro[4.5]decan-2-one;methyl 3-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzoate;methyl 4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzoate

3-(1,3-benzodioxol-5-yl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-quinolin-5-yl-1,3-diazaspiro[4.5]decan-2-one;methyl 3-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzoate;methyl 4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzoate (PubChem CID 158437552) has the molecular formula C96H113N13O10 and a molecular weight of 1609.04 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-quinolin-5-yl-1,3-diazaspiro[4.5]decan-2-one;methyl 3-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzoate;methyl 4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzoate.

Molecular Properties

• Compound Name: 3-(1,3-benzodioxol-5-yl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-quinolin-5-yl-1,3-diazaspiro[4.5]decan-2-one;methyl 3-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzoate;methyl 4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzoate
• PubChem CID: 158437552
• Molecular Formula: C96H113N13O10
• Molecular Weight: 1609.04 g/mol
• Exact Mass: 1607.87
• IUPAC Name: 3-(1,3-benzodioxol-5-yl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-quinolin-5-yl-1,3-diazaspiro[4.5]decan-2-one;methyl 3-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzoate;methyl 4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzoate
• SMILES: CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc3c(c1)OCO3)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cccc3ncccc13)C(=O)N2.COC(=O)c1ccc(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)NC2=O)cc1.COC(=O)c1cccc(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)NC2=O)c1
• InChI: InChI=1S/C25H28N4O.2C24H29N3O3.C23H27N3O3/c1-28(2)25(19-8-4-3-5-9-19)15-13-24(14-16-25)18-29(23(30)27-24)22-12-6-11-21-20(22)10-7-17-26-21;1-26(2)24(19-9-5-4-6-10-19)14-12-23(13-15-24)17-27(22(29)25-23)20-11-7-8-18(16-20)21(28)30-3;1-26(2)24(19-7-5-4-6-8-19)15-13-23(14-16-24)17-27(22(29)25-23)20-11-9-18(10-12-20)21(28)30-3;1-25(2)23(17-6-4-3-5-7-17)12-10-22(11-13-23)15-26(21(27)24-22)18-8-9-19-20(14-18)29-16-28-19/h3-12,17H,13-16,18H2,1-2H3,(H,27,30);4-11,16H,12-15,17H2,1-3H3,(H,25,29);4-12H,13-17H2,1-3H3,(H,25,29);3-9,14H,10-13,15-16H2,1-2H3,(H,24,27)
• InChIKey: HCKNMYSCMIECPP-UHFFFAOYSA-N
• XLogP: 15.79
• TPSA: 226.27 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 15
• Rotatable Bonds: 14
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1609.04
LogP ≤ 5	15.79
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-quinolin-5-yl-1,3-diazaspiro[4.5]decan-2-one;methyl 3-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzoate;methyl 4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzoate?

The IUPAC name of 3-(1,3-benzodioxol-5-yl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-quinolin-5-yl-1,3-diazaspiro[4.5]decan-2-one;methyl 3-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzoate;methyl 4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzoate (CID 158437552) is 3-(1,3-benzodioxol-5-yl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-quinolin-5-yl-1,3-diazaspiro[4.5]decan-2-one;methyl 3-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzoate;methyl 4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzoate.

What is the SMILES notation for 3-(1,3-benzodioxol-5-yl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-quinolin-5-yl-1,3-diazaspiro[4.5]decan-2-one;methyl 3-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzoate;methyl 4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzoate?

The canonical SMILES for 3-(1,3-benzodioxol-5-yl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-quinolin-5-yl-1,3-diazaspiro[4.5]decan-2-one;methyl 3-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzoate;methyl 4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzoate is CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc3c(c1)OCO3)C(=O)N2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cccc3ncccc13)C(=O)N2.COC(=O)c1ccc(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)NC2=O)cc1.COC(=O)c1cccc(N2CC3(CCC(c4ccccc4)(N(C)C)CC3)NC2=O)c1.

What is the InChIKey of 3-(1,3-benzodioxol-5-yl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-quinolin-5-yl-1,3-diazaspiro[4.5]decan-2-one;methyl 3-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzoate;methyl 4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzoate?

The InChIKey is HCKNMYSCMIECPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O.2C24H29N3O3.C23H27N3O3/c1-28(2)25(19-8-4-3-5-9-19)15-13-24(14-16-25)18-29(23(30)27-24)22-12-6-11-21-20(22)10-7-17-26-21;1-26(2)24(19-9-5-4-6-10-19)14-12-23(13-15-24)17-27(22(29)25-23)20-11-7-8-18(16-20)21(28)30-3;1-26(2)24(19-7-5-4-6-8-19)15-13-23(14-16-24)17-27(22(29)25-23)20-11-9-18(10-12-20)21(28)30-3;1-25(2)23(17-6-4-3-5-7-17)12-10-22(11-13-23)15-26(21(27)24-22)18-8-9-19-20(14-18)29-16-28-19/h3-12,17H,13-16,18H2,1-2H3,(H,27,30);4-11,16H,12-15,17H2,1-3H3,(H,25,29);4-12H,13-17H2,1-3H3,(H,25,29);3-9,14H,10-13,15-16H2,1-2H3,(H,24,27).

What are the key properties of 3-(1,3-benzodioxol-5-yl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-quinolin-5-yl-1,3-diazaspiro[4.5]decan-2-one;methyl 3-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzoate;methyl 4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzoate?

3-(1,3-benzodioxol-5-yl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-quinolin-5-yl-1,3-diazaspiro[4.5]decan-2-one;methyl 3-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzoate;methyl 4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzoate has a molecular weight of 1609.04 g/mol, XLogP of 15.79, 14 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1,3-benzodioxol-5-yl)-8-(dimethylamino)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-8-phenyl-3-quinolin-5-yl-1,3-diazaspiro[4.5]decan-2-one;methyl 3-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzoate;methyl 4-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzoate is sourced from PubChem (CID 158437552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).