bis(8-[methyl(oxolan-3-ylmethyl)amino]-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one);8-[methyl(oxolan-3-ylmethyl)amino]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

C70H95N13O6 — CID 159590145

About bis(8-[methyl(oxolan-3-ylmethyl)amino]-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one);8-[methyl(oxolan-3-ylmethyl)amino]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

bis(8-[methyl(oxolan-3-ylmethyl)amino]-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one);8-[methyl(oxolan-3-ylmethyl)amino]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 159590145) has the molecular formula C70H95N13O6 and a molecular weight of 1214.61 g/mol. Its IUPAC name is bis(8-[methyl(oxolan-3-ylmethyl)amino]-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one);8-[methyl(oxolan-3-ylmethyl)amino]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

• Compound Name: bis(8-[methyl(oxolan-3-ylmethyl)amino]-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one);8-[methyl(oxolan-3-ylmethyl)amino]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
• PubChem CID: 159590145
• Molecular Formula: C70H95N13O6
• Molecular Weight: 1214.61 g/mol
• Exact Mass: 1213.75
• IUPAC Name: bis(8-[methyl(oxolan-3-ylmethyl)amino]-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one);8-[methyl(oxolan-3-ylmethyl)amino]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
• SMILES: CN(CC1CCOC1)C1(c2ccccc2)CCC2(CC1)CNC(=O)N2.Cc1ncc(N2CC3(CCC(c4ccccc4)(N(C)CC4CCOC4)CC3)NC2=O)cn1.Cc1ncc(N2CC3(CCC(c4ccccc4)(N(C)CC4CCOC4)CC3)NC2=O)cn1
• InChI: InChI=1S/2C25H33N5O2.C20H29N3O2/c2*1-19-26-14-22(15-27-19)30-18-24(28-23(30)31)9-11-25(12-10-24,21-6-4-3-5-7-21)29(2)16-20-8-13-32-17-20;1-23(13-16-7-12-25-14-16)20(17-5-3-2-4-6-17)10-8-19(9-11-20)15-21-18(24)22-19/h2*3-7,14-15,20H,8-13,16-18H2,1-2H3,(H,28,31);2-6,16H,7-15H2,1H3,(H2,21,22,24)
• InChIKey: MKDCALCUDQQKMI-UHFFFAOYSA-N
• XLogP: 9.46
• TPSA: 194.78 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 13
• Rotatable Bonds: 14
• Heavy Atoms: 89
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1214.61
LogP ≤ 5	9.46
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of bis(8-[methyl(oxolan-3-ylmethyl)amino]-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one);8-[methyl(oxolan-3-ylmethyl)amino]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?

The IUPAC name of bis(8-[methyl(oxolan-3-ylmethyl)amino]-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one);8-[methyl(oxolan-3-ylmethyl)amino]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (CID 159590145) is bis(8-[methyl(oxolan-3-ylmethyl)amino]-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one);8-[methyl(oxolan-3-ylmethyl)amino]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.

What is the SMILES notation for bis(8-[methyl(oxolan-3-ylmethyl)amino]-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one);8-[methyl(oxolan-3-ylmethyl)amino]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?

The canonical SMILES for bis(8-[methyl(oxolan-3-ylmethyl)amino]-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one);8-[methyl(oxolan-3-ylmethyl)amino]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is CN(CC1CCOC1)C1(c2ccccc2)CCC2(CC1)CNC(=O)N2.Cc1ncc(N2CC3(CCC(c4ccccc4)(N(C)CC4CCOC4)CC3)NC2=O)cn1.Cc1ncc(N2CC3(CCC(c4ccccc4)(N(C)CC4CCOC4)CC3)NC2=O)cn1.

What is the InChIKey of bis(8-[methyl(oxolan-3-ylmethyl)amino]-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one);8-[methyl(oxolan-3-ylmethyl)amino]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?

The InChIKey is MKDCALCUDQQKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H33N5O2.C20H29N3O2/c2*1-19-26-14-22(15-27-19)30-18-24(28-23(30)31)9-11-25(12-10-24,21-6-4-3-5-7-21)29(2)16-20-8-13-32-17-20;1-23(13-16-7-12-25-14-16)20(17-5-3-2-4-6-17)10-8-19(9-11-20)15-21-18(24)22-19/h2*3-7,14-15,20H,8-13,16-18H2,1-2H3,(H,28,31);2-6,16H,7-15H2,1H3,(H2,21,22,24).

What are the key properties of bis(8-[methyl(oxolan-3-ylmethyl)amino]-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one);8-[methyl(oxolan-3-ylmethyl)amino]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?

bis(8-[methyl(oxolan-3-ylmethyl)amino]-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one);8-[methyl(oxolan-3-ylmethyl)amino]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 1214.61 g/mol, XLogP of 9.46, 14 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for bis(8-[methyl(oxolan-3-ylmethyl)amino]-3-(2-methylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one);8-[methyl(oxolan-3-ylmethyl)amino]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 159590145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).