(4R)-4-butyl-3-(cyclohexylmethyl)-8-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;(4S)-4-butyl-3-(cyclohexylmethyl)-8-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;(4R)-4-butyl-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;(4S)-4-butyl-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C88H142N10O10 — CID 160808195

About (4R)-4-butyl-3-(cyclohexylmethyl)-8-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;(4S)-4-butyl-3-(cyclohexylmethyl)-8-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;(4R)-4-butyl-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;(4S)-4-butyl-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

(4R)-4-butyl-3-(cyclohexylmethyl)-8-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;(4S)-4-butyl-3-(cyclohexylmethyl)-8-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;(4R)-4-butyl-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;(4S)-4-butyl-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 160808195) has the molecular formula C88H142N10O10 and a molecular weight of 1500.16 g/mol. Its IUPAC name is (4R)-4-butyl-3-(cyclohexylmethyl)-8-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;(4S)-4-butyl-3-(cyclohexylmethyl)-8-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;(4R)-4-butyl-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;(4S)-4-butyl-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

• Compound Name: (4R)-4-butyl-3-(cyclohexylmethyl)-8-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;(4S)-4-butyl-3-(cyclohexylmethyl)-8-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;(4R)-4-butyl-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;(4S)-4-butyl-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• PubChem CID: 160808195
• Molecular Formula: C88H142N10O10
• Molecular Weight: 1500.16 g/mol
• Exact Mass: 1499.09
• IUPAC Name: (4R)-4-butyl-3-(cyclohexylmethyl)-8-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;(4S)-4-butyl-3-(cyclohexylmethyl)-8-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;(4R)-4-butyl-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;(4S)-4-butyl-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• SMILES: CCCC[C@@H]1N(CC2CCCCC2)C(=O)OC12CCN(C1CCN(C(=O)c3c(C)cccc3C)CC1)CC2.CCCC[C@@H]1NC(=O)OC12CCN(C)CC2.CCCC[C@H]1N(CC2CCCCC2)C(=O)OC12CCN(C1CCN(C(=O)c3c(C)cccc3C)CC1)CC2.CCCC[C@H]1NC(=O)OC12CCN(C)CC2
• InChI: InChI=1S/2C32H49N3O3.2C12H22N2O2/c2*1-4-5-14-28-32(38-31(37)35(28)23-26-12-7-6-8-13-26)17-21-33(22-18-32)27-15-19-34(20-16-27)30(36)29-24(2)10-9-11-25(29)3;2*1-3-4-5-10-12(16-11(15)13-10)6-8-14(2)9-7-12/h2*9-11,26-28H,4-8,12-23H2,1-3H3;2*10H,3-9H2,1-2H3,(H,13,15)/t2*28-;2*10-/m1010/s1
• InChIKey: SDYXBZLRCINACA-PTETZVJYSA-N
• XLogP: 16.17
• TPSA: 189.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 20
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1500.16
LogP ≤ 5	16.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4R)-4-butyl-3-(cyclohexylmethyl)-8-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;(4S)-4-butyl-3-(cyclohexylmethyl)-8-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;(4R)-4-butyl-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;(4S)-4-butyl-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?

The IUPAC name of (4R)-4-butyl-3-(cyclohexylmethyl)-8-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;(4S)-4-butyl-3-(cyclohexylmethyl)-8-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;(4R)-4-butyl-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;(4S)-4-butyl-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 160808195) is (4R)-4-butyl-3-(cyclohexylmethyl)-8-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;(4S)-4-butyl-3-(cyclohexylmethyl)-8-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;(4R)-4-butyl-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;(4S)-4-butyl-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

What is the SMILES notation for (4R)-4-butyl-3-(cyclohexylmethyl)-8-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;(4S)-4-butyl-3-(cyclohexylmethyl)-8-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;(4R)-4-butyl-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;(4S)-4-butyl-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?

The canonical SMILES for (4R)-4-butyl-3-(cyclohexylmethyl)-8-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;(4S)-4-butyl-3-(cyclohexylmethyl)-8-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;(4R)-4-butyl-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;(4S)-4-butyl-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CCCC[C@@H]1N(CC2CCCCC2)C(=O)OC12CCN(C1CCN(C(=O)c3c(C)cccc3C)CC1)CC2.CCCC[C@@H]1NC(=O)OC12CCN(C)CC2.CCCC[C@H]1N(CC2CCCCC2)C(=O)OC12CCN(C1CCN(C(=O)c3c(C)cccc3C)CC1)CC2.CCCC[C@H]1NC(=O)OC12CCN(C)CC2.

What is the InChIKey of (4R)-4-butyl-3-(cyclohexylmethyl)-8-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;(4S)-4-butyl-3-(cyclohexylmethyl)-8-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;(4R)-4-butyl-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;(4S)-4-butyl-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?

The InChIKey is SDYXBZLRCINACA-PTETZVJYSA-N. The full InChI is InChI=1S/2C32H49N3O3.2C12H22N2O2/c2*1-4-5-14-28-32(38-31(37)35(28)23-26-12-7-6-8-13-26)17-21-33(22-18-32)27-15-19-34(20-16-27)30(36)29-24(2)10-9-11-25(29)3;2*1-3-4-5-10-12(16-11(15)13-10)6-8-14(2)9-7-12/h2*9-11,26-28H,4-8,12-23H2,1-3H3;2*10H,3-9H2,1-2H3,(H,13,15)/t2*28-;2*10-/m1010/s1.

What are the key properties of (4R)-4-butyl-3-(cyclohexylmethyl)-8-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;(4S)-4-butyl-3-(cyclohexylmethyl)-8-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;(4R)-4-butyl-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;(4S)-4-butyl-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?

(4R)-4-butyl-3-(cyclohexylmethyl)-8-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;(4S)-4-butyl-3-(cyclohexylmethyl)-8-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;(4R)-4-butyl-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;(4S)-4-butyl-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 1500.16 g/mol, XLogP of 16.17, 20 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-4-butyl-3-(cyclohexylmethyl)-8-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;(4S)-4-butyl-3-(cyclohexylmethyl)-8-[1-(2,6-dimethylbenzoyl)piperidin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one;(4R)-4-butyl-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one;(4S)-4-butyl-8-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 160808195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).