1-(cyclobutylmethyl)-8-(dimethylamino)-3,8-diphenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-(2-methoxyethyl)-3,8-diphenyl-1,3-diazaspiro[4.5]decan-2-one;5-[8-(dimethylamino)-1-(2-methoxyethyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyridine-2-carbonitrile;2-[8-(dimethylamino)-1-(2-methoxyethyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-5-carbonitrile

C102H131N17O7 — CID 157210536

About 1-(cyclobutylmethyl)-8-(dimethylamino)-3,8-diphenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-(2-methoxyethyl)-3,8-diphenyl-1,3-diazaspiro[4.5]decan-2-one;5-[8-(dimethylamino)-1-(2-methoxyethyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyridine-2-carbonitrile;2-[8-(dimethylamino)-1-(2-methoxyethyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-5-carbonitrile

1-(cyclobutylmethyl)-8-(dimethylamino)-3,8-diphenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-(2-methoxyethyl)-3,8-diphenyl-1,3-diazaspiro[4.5]decan-2-one;5-[8-(dimethylamino)-1-(2-methoxyethyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyridine-2-carbonitrile;2-[8-(dimethylamino)-1-(2-methoxyethyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-5-carbonitrile (PubChem CID 157210536) has the molecular formula C102H131N17O7 and a molecular weight of 1707.28 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-8-(dimethylamino)-3,8-diphenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-(2-methoxyethyl)-3,8-diphenyl-1,3-diazaspiro[4.5]decan-2-one;5-[8-(dimethylamino)-1-(2-methoxyethyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyridine-2-carbonitrile;2-[8-(dimethylamino)-1-(2-methoxyethyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-5-carbonitrile.

Molecular Properties

• Compound Name: 1-(cyclobutylmethyl)-8-(dimethylamino)-3,8-diphenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-(2-methoxyethyl)-3,8-diphenyl-1,3-diazaspiro[4.5]decan-2-one;5-[8-(dimethylamino)-1-(2-methoxyethyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyridine-2-carbonitrile;2-[8-(dimethylamino)-1-(2-methoxyethyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-5-carbonitrile
• PubChem CID: 157210536
• Molecular Formula: C102H131N17O7
• Molecular Weight: 1707.28 g/mol
• Exact Mass: 1706.04
• IUPAC Name: 1-(cyclobutylmethyl)-8-(dimethylamino)-3,8-diphenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-(2-methoxyethyl)-3,8-diphenyl-1,3-diazaspiro[4.5]decan-2-one;5-[8-(dimethylamino)-1-(2-methoxyethyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyridine-2-carbonitrile;2-[8-(dimethylamino)-1-(2-methoxyethyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-5-carbonitrile
• SMILES: CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccccc1)C(=O)N2CC1CCC1.COCCN1C(=O)N(c2ccccc2)CC12CCC(c1ccccc1)(N(C)C)CC2.COCCN1C(=O)N(c2cnc(C#N)cc2C)CC12CCC(c1ccccc1)(N(C)C)CC2.COCCN1C(=O)N(c2ncc(C#N)cn2)CC12CCC(c1ccccc1)(N(C)C)CC2
• InChI: InChI=1S/C27H35N3O.C26H33N5O2.C25H33N3O2.C24H30N6O2/c1-28(2)27(23-12-5-3-6-13-23)18-16-26(17-19-27)21-29(24-14-7-4-8-15-24)25(31)30(26)20-22-10-9-11-22;1-20-16-22(17-27)28-18-23(20)30-19-25(31(24(30)32)14-15-33-4)10-12-26(13-11-25,29(2)3)21-8-6-5-7-9-21;1-26(2)25(21-10-6-4-7-11-21)16-14-24(15-17-25)20-27(22-12-8-5-9-13-22)23(29)28(24)18-19-30-3;1-28(2)24(20-7-5-4-6-8-20)11-9-23(10-12-24)18-29(22(31)30(23)13-14-32-3)21-26-16-19(15-25)17-27-21/h3-8,12-15,22H,9-11,16-21H2,1-2H3;5-9,16,18H,10-15,19H2,1-4H3;4-13H,14-20H2,1-3H3;4-8,16-17H,9-14,18H2,1-3H3
• InChIKey: ARVNJLBHXAJROZ-UHFFFAOYSA-N
• XLogP: 16.77
• TPSA: 221.10 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 23
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1707.28
LogP ≤ 5	16.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-8-(dimethylamino)-3,8-diphenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-(2-methoxyethyl)-3,8-diphenyl-1,3-diazaspiro[4.5]decan-2-one;5-[8-(dimethylamino)-1-(2-methoxyethyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyridine-2-carbonitrile;2-[8-(dimethylamino)-1-(2-methoxyethyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-5-carbonitrile?

The IUPAC name of 1-(cyclobutylmethyl)-8-(dimethylamino)-3,8-diphenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-(2-methoxyethyl)-3,8-diphenyl-1,3-diazaspiro[4.5]decan-2-one;5-[8-(dimethylamino)-1-(2-methoxyethyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyridine-2-carbonitrile;2-[8-(dimethylamino)-1-(2-methoxyethyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-5-carbonitrile (CID 157210536) is 1-(cyclobutylmethyl)-8-(dimethylamino)-3,8-diphenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-(2-methoxyethyl)-3,8-diphenyl-1,3-diazaspiro[4.5]decan-2-one;5-[8-(dimethylamino)-1-(2-methoxyethyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyridine-2-carbonitrile;2-[8-(dimethylamino)-1-(2-methoxyethyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-5-carbonitrile.

What is the SMILES notation for 1-(cyclobutylmethyl)-8-(dimethylamino)-3,8-diphenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-(2-methoxyethyl)-3,8-diphenyl-1,3-diazaspiro[4.5]decan-2-one;5-[8-(dimethylamino)-1-(2-methoxyethyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyridine-2-carbonitrile;2-[8-(dimethylamino)-1-(2-methoxyethyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-5-carbonitrile?

The canonical SMILES for 1-(cyclobutylmethyl)-8-(dimethylamino)-3,8-diphenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-(2-methoxyethyl)-3,8-diphenyl-1,3-diazaspiro[4.5]decan-2-one;5-[8-(dimethylamino)-1-(2-methoxyethyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyridine-2-carbonitrile;2-[8-(dimethylamino)-1-(2-methoxyethyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-5-carbonitrile is CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccccc1)C(=O)N2CC1CCC1.COCCN1C(=O)N(c2ccccc2)CC12CCC(c1ccccc1)(N(C)C)CC2.COCCN1C(=O)N(c2cnc(C#N)cc2C)CC12CCC(c1ccccc1)(N(C)C)CC2.COCCN1C(=O)N(c2ncc(C#N)cn2)CC12CCC(c1ccccc1)(N(C)C)CC2.

What is the InChIKey of 1-(cyclobutylmethyl)-8-(dimethylamino)-3,8-diphenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-(2-methoxyethyl)-3,8-diphenyl-1,3-diazaspiro[4.5]decan-2-one;5-[8-(dimethylamino)-1-(2-methoxyethyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyridine-2-carbonitrile;2-[8-(dimethylamino)-1-(2-methoxyethyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-5-carbonitrile?

The InChIKey is ARVNJLBHXAJROZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O.C26H33N5O2.C25H33N3O2.C24H30N6O2/c1-28(2)27(23-12-5-3-6-13-23)18-16-26(17-19-27)21-29(24-14-7-4-8-15-24)25(31)30(26)20-22-10-9-11-22;1-20-16-22(17-27)28-18-23(20)30-19-25(31(24(30)32)14-15-33-4)10-12-26(13-11-25,29(2)3)21-8-6-5-7-9-21;1-26(2)25(21-10-6-4-7-11-21)16-14-24(15-17-25)20-27(22-12-8-5-9-13-22)23(29)28(24)18-19-30-3;1-28(2)24(20-7-5-4-6-8-20)11-9-23(10-12-24)18-29(22(31)30(23)13-14-32-3)21-26-16-19(15-25)17-27-21/h3-8,12-15,22H,9-11,16-21H2,1-2H3;5-9,16,18H,10-15,19H2,1-4H3;4-13H,14-20H2,1-3H3;4-8,16-17H,9-14,18H2,1-3H3.

What are the key properties of 1-(cyclobutylmethyl)-8-(dimethylamino)-3,8-diphenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-(2-methoxyethyl)-3,8-diphenyl-1,3-diazaspiro[4.5]decan-2-one;5-[8-(dimethylamino)-1-(2-methoxyethyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyridine-2-carbonitrile;2-[8-(dimethylamino)-1-(2-methoxyethyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-5-carbonitrile?

1-(cyclobutylmethyl)-8-(dimethylamino)-3,8-diphenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-(2-methoxyethyl)-3,8-diphenyl-1,3-diazaspiro[4.5]decan-2-one;5-[8-(dimethylamino)-1-(2-methoxyethyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyridine-2-carbonitrile;2-[8-(dimethylamino)-1-(2-methoxyethyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-5-carbonitrile has a molecular weight of 1707.28 g/mol, XLogP of 16.77, 23 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(cyclobutylmethyl)-8-(dimethylamino)-3,8-diphenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-(2-methoxyethyl)-3,8-diphenyl-1,3-diazaspiro[4.5]decan-2-one;5-[8-(dimethylamino)-1-(2-methoxyethyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-4-methylpyridine-2-carbonitrile;2-[8-(dimethylamino)-1-(2-methoxyethyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-5-carbonitrile is sourced from PubChem (CID 157210536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).