4-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzamide;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-oxo-1H-pyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;5-[8-(dimethylamino)-1-(2-methylpropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile

C104H133F3N20O7 — CID 159324220

About 4-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzamide;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-oxo-1H-pyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;5-[8-(dimethylamino)-1-(2-methylpropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile

4-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzamide;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-oxo-1H-pyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;5-[8-(dimethylamino)-1-(2-methylpropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile (PubChem CID 159324220) has the molecular formula C104H133F3N20O7 and a molecular weight of 1832.33 g/mol. Its IUPAC name is 4-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzamide;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-oxo-1H-pyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;5-[8-(dimethylamino)-1-(2-methylpropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile.

Molecular Properties

• Compound Name: 4-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzamide;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-oxo-1H-pyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;5-[8-(dimethylamino)-1-(2-methylpropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile
• PubChem CID: 159324220
• Molecular Formula: C104H133F3N20O7
• Molecular Weight: 1832.33 g/mol
• Exact Mass: 1831.06
• IUPAC Name: 4-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzamide;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-oxo-1H-pyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;5-[8-(dimethylamino)-1-(2-methylpropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile
• SMILES: CC(C)CN1C(=O)N(c2cnc(C#N)nc2)CC12CCC(c1ccccc1)(N(C)C)CC2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(C(N)=O)cc1)C(=O)N2CC1CCC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(=O)[nH]c1)C(=O)N2CC1(O)CCC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(C(F)(F)F)nc1)C(=O)N2CC1CCC1
• InChI: InChI=1S/C28H36N4O2.C26H32F3N5O.C25H32N6O.C25H33N5O3/c1-30(2)28(23-9-4-3-5-10-23)17-15-27(16-18-28)20-31(24-13-11-22(12-14-24)25(29)33)26(34)32(27)19-21-7-6-8-21;1-32(2)25(20-9-4-3-5-10-20)13-11-24(12-14-25)18-33(23(35)34(24)17-19-7-6-8-19)21-15-30-22(31-16-21)26(27,28)29;1-19(2)17-31-23(32)30(21-15-27-22(14-26)28-16-21)18-24(31)10-12-25(13-11-24,29(3)4)20-8-6-5-7-9-20;1-28(2)25(19-7-4-3-5-8-19)13-11-23(12-14-25)17-29(20-15-26-21(31)27-16-20)22(32)30(23)18-24(33)9-6-10-24/h3-5,9-14,21H,6-8,15-20H2,1-2H3,(H2,29,33);3-5,9-10,15-16,19H,6-8,11-14,17-18H2,1-2H3;5-9,15-16,19H,10-13,17-18H2,1-4H3;3-5,7-8,15-16,33H,6,9-14,17-18H2,1-2H3,(H,26,27,31)
• InChIKey: LEDPKKRHFBFGPS-UHFFFAOYSA-N
• XLogP: 16.62
• TPSA: 291.58 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 17
• Rotatable Bonds: 21
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1832.33
LogP ≤ 5	16.62
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

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

The IUPAC name of 4-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzamide;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-oxo-1H-pyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;5-[8-(dimethylamino)-1-(2-methylpropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile (CID 159324220) is 4-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzamide;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-oxo-1H-pyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;5-[8-(dimethylamino)-1-(2-methylpropyl)-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-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzamide;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-oxo-1H-pyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;5-[8-(dimethylamino)-1-(2-methylpropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile?

The canonical SMILES for 4-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzamide;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-oxo-1H-pyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;5-[8-(dimethylamino)-1-(2-methylpropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile is CC(C)CN1C(=O)N(c2cnc(C#N)nc2)CC12CCC(c1ccccc1)(N(C)C)CC2.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1ccc(C(N)=O)cc1)C(=O)N2CC1CCC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(=O)[nH]c1)C(=O)N2CC1(O)CCC1.CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(C(F)(F)F)nc1)C(=O)N2CC1CCC1.

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

The InChIKey is LEDPKKRHFBFGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N4O2.C26H32F3N5O.C25H32N6O.C25H33N5O3/c1-30(2)28(23-9-4-3-5-10-23)17-15-27(16-18-28)20-31(24-13-11-22(12-14-24)25(29)33)26(34)32(27)19-21-7-6-8-21;1-32(2)25(20-9-4-3-5-10-20)13-11-24(12-14-25)18-33(23(35)34(24)17-19-7-6-8-19)21-15-30-22(31-16-21)26(27,28)29;1-19(2)17-31-23(32)30(21-15-27-22(14-26)28-16-21)18-24(31)10-12-25(13-11-24,29(3)4)20-8-6-5-7-9-20;1-28(2)25(19-7-4-3-5-8-19)13-11-23(12-14-25)17-29(20-15-26-21(31)27-16-20)22(32)30(23)18-24(33)9-6-10-24/h3-5,9-14,21H,6-8,15-20H2,1-2H3,(H2,29,33);3-5,9-10,15-16,19H,6-8,11-14,17-18H2,1-2H3;5-9,15-16,19H,10-13,17-18H2,1-4H3;3-5,7-8,15-16,33H,6,9-14,17-18H2,1-2H3,(H,26,27,31).

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

4-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzamide;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-oxo-1H-pyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;5-[8-(dimethylamino)-1-(2-methylpropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile has a molecular weight of 1832.33 g/mol, XLogP of 16.62, 21 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-(cyclobutylmethyl)-8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzamide;1-(cyclobutylmethyl)-8-(dimethylamino)-8-phenyl-3-[2-(trifluoromethyl)pyrimidin-5-yl]-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-1-[(1-hydroxycyclobutyl)methyl]-3-(2-oxo-1H-pyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;5-[8-(dimethylamino)-1-(2-methylpropyl)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]pyrimidine-2-carbonitrile is sourced from PubChem (CID 159324220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).