4-[1-(cyclobutylmethyl)-8-[ethyl(methyl)amino]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;5-[1-(cyclobutylmethyl)-8-[ethyl(methyl)amino]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile;1-(cyclobutylmethyl)-8-[ethyl(methyl)amino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;5-[8-(dimethylamino)-1-[(1-methylcyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile

C110H138F3N21O4 — CID 160623922

About 4-[1-(cyclobutylmethyl)-8-[ethyl(methyl)amino]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;5-[1-(cyclobutylmethyl)-8-[ethyl(methyl)amino]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile;1-(cyclobutylmethyl)-8-[ethyl(methyl)amino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;5-[8-(dimethylamino)-1-[(1-methylcyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile

4-[1-(cyclobutylmethyl)-8-[ethyl(methyl)amino]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;5-[1-(cyclobutylmethyl)-8-[ethyl(methyl)amino]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile;1-(cyclobutylmethyl)-8-[ethyl(methyl)amino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;5-[8-(dimethylamino)-1-[(1-methylcyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile (PubChem CID 160623922) has the molecular formula C110H138F3N21O4 and a molecular weight of 1875.45 g/mol. Its IUPAC name is 4-[1-(cyclobutylmethyl)-8-[ethyl(methyl)amino]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;5-[1-(cyclobutylmethyl)-8-[ethyl(methyl)amino]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile;1-(cyclobutylmethyl)-8-[ethyl(methyl)amino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;5-[8-(dimethylamino)-1-[(1-methylcyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile.

Molecular Properties

• Compound Name: 4-[1-(cyclobutylmethyl)-8-[ethyl(methyl)amino]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;5-[1-(cyclobutylmethyl)-8-[ethyl(methyl)amino]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile;1-(cyclobutylmethyl)-8-[ethyl(methyl)amino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;5-[8-(dimethylamino)-1-[(1-methylcyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile
• PubChem CID: 160623922
• Molecular Formula: C110H138F3N21O4
• Molecular Weight: 1875.45 g/mol
• Exact Mass: 1874.12
• IUPAC Name: 4-[1-(cyclobutylmethyl)-8-[ethyl(methyl)amino]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;5-[1-(cyclobutylmethyl)-8-[ethyl(methyl)amino]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile;1-(cyclobutylmethyl)-8-[ethyl(methyl)amino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;5-[8-(dimethylamino)-1-[(1-methylcyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile
• SMILES: CCN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(C#N)cc1)C(=O)N2CC1CCC1.CCN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(C#N)nc1)C(=O)N2CC1CCC1.CCN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(C(F)(F)F)nc1)C(=O)N2CC1CCC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(C#N)nc1)C(=O)N2CC1(C)CCC1
• InChI: InChI=1S/C29H36N4O.C27H34F3N5O.2C27H34N6O/c1-3-31(2)29(25-10-5-4-6-11-25)18-16-28(17-19-29)22-32(26-14-12-23(20-30)13-15-26)27(34)33(28)21-24-8-7-9-24;1-3-33(2)26(21-10-5-4-6-11-21)14-12-25(13-15-26)19-34(24(36)35(25)18-20-8-7-9-20)22-16-31-23(32-17-22)27(28,29)30;1-25(10-7-11-25)19-33-24(34)32(22-17-29-23(16-28)30-18-22)20-26(33)12-14-27(15-13-26,31(2)3)21-8-5-4-6-9-21;1-3-31(2)27(22-10-5-4-6-11-22)14-12-26(13-15-27)20-32(23-17-29-24(16-28)30-18-23)25(34)33(26)19-21-8-7-9-21/h4-6,10-15,24H,3,7-9,16-19,21-22H2,1-2H3;4-6,10-11,16-17,20H,3,7-9,12-15,18-19H2,1-2H3;4-6,8-9,17-18H,7,10-15,19-20H2,1-3H3;4-6,10-11,17-18,21H,3,7-9,12-15,19-20H2,1-2H3
• InChIKey: RHAZLSNFIWGWFA-UHFFFAOYSA-N
• XLogP: 20.56
• TPSA: 255.87 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 23
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1875.45
LogP ≤ 5	20.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 4-[1-(cyclobutylmethyl)-8-[ethyl(methyl)amino]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;5-[1-(cyclobutylmethyl)-8-[ethyl(methyl)amino]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile;1-(cyclobutylmethyl)-8-[ethyl(methyl)amino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;5-[8-(dimethylamino)-1-[(1-methylcyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile?

The IUPAC name of 4-[1-(cyclobutylmethyl)-8-[ethyl(methyl)amino]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;5-[1-(cyclobutylmethyl)-8-[ethyl(methyl)amino]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile;1-(cyclobutylmethyl)-8-[ethyl(methyl)amino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;5-[8-(dimethylamino)-1-[(1-methylcyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile (CID 160623922) is 4-[1-(cyclobutylmethyl)-8-[ethyl(methyl)amino]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;5-[1-(cyclobutylmethyl)-8-[ethyl(methyl)amino]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile;1-(cyclobutylmethyl)-8-[ethyl(methyl)amino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;5-[8-(dimethylamino)-1-[(1-methylcyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile.

What is the SMILES notation for 4-[1-(cyclobutylmethyl)-8-[ethyl(methyl)amino]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;5-[1-(cyclobutylmethyl)-8-[ethyl(methyl)amino]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile;1-(cyclobutylmethyl)-8-[ethyl(methyl)amino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;5-[8-(dimethylamino)-1-[(1-methylcyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile?

The canonical SMILES for 4-[1-(cyclobutylmethyl)-8-[ethyl(methyl)amino]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;5-[1-(cyclobutylmethyl)-8-[ethyl(methyl)amino]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile;1-(cyclobutylmethyl)-8-[ethyl(methyl)amino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;5-[8-(dimethylamino)-1-[(1-methylcyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile is CCN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(C#N)cc1)C(=O)N2CC1CCC1.CCN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(C#N)nc1)C(=O)N2CC1CCC1.CCN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(C(F)(F)F)nc1)C(=O)N2CC1CCC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(C#N)nc1)C(=O)N2CC1(C)CCC1.

What is the InChIKey of 4-[1-(cyclobutylmethyl)-8-[ethyl(methyl)amino]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;5-[1-(cyclobutylmethyl)-8-[ethyl(methyl)amino]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile;1-(cyclobutylmethyl)-8-[ethyl(methyl)amino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;5-[8-(dimethylamino)-1-[(1-methylcyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile?

The InChIKey is RHAZLSNFIWGWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N4O.C27H34F3N5O.2C27H34N6O/c1-3-31(2)29(25-10-5-4-6-11-25)18-16-28(17-19-29)22-32(26-14-12-23(20-30)13-15-26)27(34)33(28)21-24-8-7-9-24;1-3-33(2)26(21-10-5-4-6-11-21)14-12-25(13-15-26)19-34(24(36)35(25)18-20-8-7-9-20)22-16-31-23(32-17-22)27(28,29)30;1-25(10-7-11-25)19-33-24(34)32(22-17-29-23(16-28)30-18-22)20-26(33)12-14-27(15-13-26,31(2)3)21-8-5-4-6-9-21;1-3-31(2)27(22-10-5-4-6-11-22)14-12-26(13-15-27)20-32(23-17-29-24(16-28)30-18-23)25(34)33(26)19-21-8-7-9-21/h4-6,10-15,24H,3,7-9,16-19,21-22H2,1-2H3;4-6,10-11,16-17,20H,3,7-9,12-15,18-19H2,1-2H3;4-6,8-9,17-18H,7,10-15,19-20H2,1-3H3;4-6,10-11,17-18,21H,3,7-9,12-15,19-20H2,1-2H3.

What are the key properties of 4-[1-(cyclobutylmethyl)-8-[ethyl(methyl)amino]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;5-[1-(cyclobutylmethyl)-8-[ethyl(methyl)amino]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile;1-(cyclobutylmethyl)-8-[ethyl(methyl)amino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;5-[8-(dimethylamino)-1-[(1-methylcyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile?

4-[1-(cyclobutylmethyl)-8-[ethyl(methyl)amino]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;5-[1-(cyclobutylmethyl)-8-[ethyl(methyl)amino]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile;1-(cyclobutylmethyl)-8-[ethyl(methyl)amino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;5-[8-(dimethylamino)-1-[(1-methylcyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile has a molecular weight of 1875.45 g/mol, XLogP of 20.56, 23 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-(cyclobutylmethyl)-8-[ethyl(methyl)amino]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzonitrile;5-[1-(cyclobutylmethyl)-8-[ethyl(methyl)amino]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile;1-(cyclobutylmethyl)-8-[ethyl(methyl)amino]-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;5-[8-(dimethylamino)-1-[(1-methylcyclobutyl)methyl]-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile is sourced from PubChem (CID 160623922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).