5-butyl-3-(cyclohexanecarbonyl)-9-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-1-oxa-3,9-diazaspiro[5.5]undecan-2-one;5-butyl-9-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-3-[(1-hydroxycyclohexyl)methyl]-1-oxa-3,9-diazaspiro[5.5]undecan-2-one;1-[[5-butyl-9-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-2-oxo-1-oxa-3,9-diazaspiro[5.5]undecan-3-yl]methyl]cyclohexane-1-carbonitrile

C100H150N10O11 — CID 87925077

About 5-butyl-3-(cyclohexanecarbonyl)-9-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-1-oxa-3,9-diazaspiro[5.5]undecan-2-one;5-butyl-9-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-3-[(1-hydroxycyclohexyl)methyl]-1-oxa-3,9-diazaspiro[5.5]undecan-2-one;1-[[5-butyl-9-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-2-oxo-1-oxa-3,9-diazaspiro[5.5]undecan-3-yl]methyl]cyclohexane-1-carbonitrile

5-butyl-3-(cyclohexanecarbonyl)-9-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-1-oxa-3,9-diazaspiro[5.5]undecan-2-one;5-butyl-9-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-3-[(1-hydroxycyclohexyl)methyl]-1-oxa-3,9-diazaspiro[5.5]undecan-2-one;1-[[5-butyl-9-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-2-oxo-1-oxa-3,9-diazaspiro[5.5]undecan-3-yl]methyl]cyclohexane-1-carbonitrile (PubChem CID 87925077) has the molecular formula C100H150N10O11 and a molecular weight of 1668.36 g/mol. Its IUPAC name is 5-butyl-3-(cyclohexanecarbonyl)-9-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-1-oxa-3,9-diazaspiro[5.5]undecan-2-one;5-butyl-9-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-3-[(1-hydroxycyclohexyl)methyl]-1-oxa-3,9-diazaspiro[5.5]undecan-2-one;1-[[5-butyl-9-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-2-oxo-1-oxa-3,9-diazaspiro[5.5]undecan-3-yl]methyl]cyclohexane-1-carbonitrile.

Molecular Properties

• Compound Name: 5-butyl-3-(cyclohexanecarbonyl)-9-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-1-oxa-3,9-diazaspiro[5.5]undecan-2-one;5-butyl-9-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-3-[(1-hydroxycyclohexyl)methyl]-1-oxa-3,9-diazaspiro[5.5]undecan-2-one;1-[[5-butyl-9-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-2-oxo-1-oxa-3,9-diazaspiro[5.5]undecan-3-yl]methyl]cyclohexane-1-carbonitrile
• PubChem CID: 87925077
• Molecular Formula: C100H150N10O11
• Molecular Weight: 1668.36 g/mol
• Exact Mass: 1667.15
• IUPAC Name: 5-butyl-3-(cyclohexanecarbonyl)-9-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-1-oxa-3,9-diazaspiro[5.5]undecan-2-one;5-butyl-9-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-3-[(1-hydroxycyclohexyl)methyl]-1-oxa-3,9-diazaspiro[5.5]undecan-2-one;1-[[5-butyl-9-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-2-oxo-1-oxa-3,9-diazaspiro[5.5]undecan-3-yl]methyl]cyclohexane-1-carbonitrile
• SMILES: CCCCC1CN(C(=O)C2CCCCC2)C(=O)OC12CCN(C1CCN(C(=O)c3c(C)cccc3C)CC1)CC2.CCCCC1CN(CC2(C#N)CCCCC2)C(=O)OC12CCN(C1CCN(C(=O)c3c(C)cccc3C)CC1)CC2.CCCCC1CN(CC2(O)CCCCC2)C(=O)OC12CCN(C1CCN(C(=O)c3c(C)cccc3C)CC1)CC2
• InChI: InChI=1S/C34H50N4O3.C33H49N3O4.C33H51N3O4/c1-4-5-12-28-23-38(25-33(24-35)15-7-6-8-16-33)32(40)41-34(28)17-21-36(22-18-34)29-13-19-37(20-14-29)31(39)30-26(2)10-9-11-27(30)3;1-4-5-14-27-23-36(30(37)26-12-7-6-8-13-26)32(39)40-33(27)17-21-34(22-18-33)28-15-19-35(20-16-28)31(38)29-24(2)10-9-11-25(29)3;1-4-5-12-27-23-36(24-32(39)15-7-6-8-16-32)31(38)40-33(27)17-21-34(22-18-33)28-13-19-35(20-14-28)30(37)29-25(2)10-9-11-26(29)3/h9-11,28-29H,4-8,12-23,25H2,1-3H3;9-11,26-28H,4-8,12-23H2,1-3H3;9-11,27-28,39H,4-8,12-24H2,1-3H3
• InChIKey: OWTZIEDWHABURD-UHFFFAOYSA-N
• XLogP: 18.28
• TPSA: 220.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 15
• Rotatable Bonds: 20
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1668.36
LogP ≤ 5	18.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-butyl-3-(cyclohexanecarbonyl)-9-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-1-oxa-3,9-diazaspiro[5.5]undecan-2-one;5-butyl-9-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-3-[(1-hydroxycyclohexyl)methyl]-1-oxa-3,9-diazaspiro[5.5]undecan-2-one;1-[[5-butyl-9-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-2-oxo-1-oxa-3,9-diazaspiro[5.5]undecan-3-yl]methyl]cyclohexane-1-carbonitrile?

The IUPAC name of 5-butyl-3-(cyclohexanecarbonyl)-9-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-1-oxa-3,9-diazaspiro[5.5]undecan-2-one;5-butyl-9-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-3-[(1-hydroxycyclohexyl)methyl]-1-oxa-3,9-diazaspiro[5.5]undecan-2-one;1-[[5-butyl-9-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-2-oxo-1-oxa-3,9-diazaspiro[5.5]undecan-3-yl]methyl]cyclohexane-1-carbonitrile (CID 87925077) is 5-butyl-3-(cyclohexanecarbonyl)-9-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-1-oxa-3,9-diazaspiro[5.5]undecan-2-one;5-butyl-9-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-3-[(1-hydroxycyclohexyl)methyl]-1-oxa-3,9-diazaspiro[5.5]undecan-2-one;1-[[5-butyl-9-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-2-oxo-1-oxa-3,9-diazaspiro[5.5]undecan-3-yl]methyl]cyclohexane-1-carbonitrile.

What is the SMILES notation for 5-butyl-3-(cyclohexanecarbonyl)-9-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-1-oxa-3,9-diazaspiro[5.5]undecan-2-one;5-butyl-9-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-3-[(1-hydroxycyclohexyl)methyl]-1-oxa-3,9-diazaspiro[5.5]undecan-2-one;1-[[5-butyl-9-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-2-oxo-1-oxa-3,9-diazaspiro[5.5]undecan-3-yl]methyl]cyclohexane-1-carbonitrile?

The canonical SMILES for 5-butyl-3-(cyclohexanecarbonyl)-9-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-1-oxa-3,9-diazaspiro[5.5]undecan-2-one;5-butyl-9-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-3-[(1-hydroxycyclohexyl)methyl]-1-oxa-3,9-diazaspiro[5.5]undecan-2-one;1-[[5-butyl-9-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-2-oxo-1-oxa-3,9-diazaspiro[5.5]undecan-3-yl]methyl]cyclohexane-1-carbonitrile is CCCCC1CN(C(=O)C2CCCCC2)C(=O)OC12CCN(C1CCN(C(=O)c3c(C)cccc3C)CC1)CC2.CCCCC1CN(CC2(C#N)CCCCC2)C(=O)OC12CCN(C1CCN(C(=O)c3c(C)cccc3C)CC1)CC2.CCCCC1CN(CC2(O)CCCCC2)C(=O)OC12CCN(C1CCN(C(=O)c3c(C)cccc3C)CC1)CC2.

What is the InChIKey of 5-butyl-3-(cyclohexanecarbonyl)-9-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-1-oxa-3,9-diazaspiro[5.5]undecan-2-one;5-butyl-9-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-3-[(1-hydroxycyclohexyl)methyl]-1-oxa-3,9-diazaspiro[5.5]undecan-2-one;1-[[5-butyl-9-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-2-oxo-1-oxa-3,9-diazaspiro[5.5]undecan-3-yl]methyl]cyclohexane-1-carbonitrile?

The InChIKey is OWTZIEDWHABURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H50N4O3.C33H49N3O4.C33H51N3O4/c1-4-5-12-28-23-38(25-33(24-35)15-7-6-8-16-33)32(40)41-34(28)17-21-36(22-18-34)29-13-19-37(20-14-29)31(39)30-26(2)10-9-11-27(30)3;1-4-5-14-27-23-36(30(37)26-12-7-6-8-13-26)32(39)40-33(27)17-21-34(22-18-33)28-15-19-35(20-16-28)31(38)29-24(2)10-9-11-25(29)3;1-4-5-12-27-23-36(24-32(39)15-7-6-8-16-32)31(38)40-33(27)17-21-34(22-18-33)28-13-19-35(20-14-28)30(37)29-25(2)10-9-11-26(29)3/h9-11,28-29H,4-8,12-23,25H2,1-3H3;9-11,26-28H,4-8,12-23H2,1-3H3;9-11,27-28,39H,4-8,12-24H2,1-3H3.

What are the key properties of 5-butyl-3-(cyclohexanecarbonyl)-9-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-1-oxa-3,9-diazaspiro[5.5]undecan-2-one;5-butyl-9-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-3-[(1-hydroxycyclohexyl)methyl]-1-oxa-3,9-diazaspiro[5.5]undecan-2-one;1-[[5-butyl-9-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-2-oxo-1-oxa-3,9-diazaspiro[5.5]undecan-3-yl]methyl]cyclohexane-1-carbonitrile?

5-butyl-3-(cyclohexanecarbonyl)-9-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-1-oxa-3,9-diazaspiro[5.5]undecan-2-one;5-butyl-9-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-3-[(1-hydroxycyclohexyl)methyl]-1-oxa-3,9-diazaspiro[5.5]undecan-2-one;1-[[5-butyl-9-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-2-oxo-1-oxa-3,9-diazaspiro[5.5]undecan-3-yl]methyl]cyclohexane-1-carbonitrile has a molecular weight of 1668.36 g/mol, XLogP of 18.28, 20 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 5-butyl-3-(cyclohexanecarbonyl)-9-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-1-oxa-3,9-diazaspiro[5.5]undecan-2-one;5-butyl-9-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-3-[(1-hydroxycyclohexyl)methyl]-1-oxa-3,9-diazaspiro[5.5]undecan-2-one;1-[[5-butyl-9-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-2-oxo-1-oxa-3,9-diazaspiro[5.5]undecan-3-yl]methyl]cyclohexane-1-carbonitrile is sourced from PubChem (CID 87925077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).