9-benzoyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;(4-isocyanophenyl)-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone;4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane;4-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl)benzenecarboximidamide;(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-phenylmethanone;1-oxa-4,9-diazaspiro[5.5]undecan-9-yl(phenyl)methanone

C89H123N15O12 — CID 159037732

About 9-benzoyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;(4-isocyanophenyl)-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone;4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane;4-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl)benzenecarboximidamide;(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-phenylmethanone;1-oxa-4,9-diazaspiro[5.5]undecan-9-yl(phenyl)methanone

9-benzoyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;(4-isocyanophenyl)-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone;4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane;4-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl)benzenecarboximidamide;(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-phenylmethanone;1-oxa-4,9-diazaspiro[5.5]undecan-9-yl(phenyl)methanone (PubChem CID 159037732) has the molecular formula C89H123N15O12 and a molecular weight of 1595.06 g/mol. Its IUPAC name is 9-benzoyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;(4-isocyanophenyl)-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone;4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane;4-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl)benzenecarboximidamide;(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-phenylmethanone;1-oxa-4,9-diazaspiro[5.5]undecan-9-yl(phenyl)methanone.

Molecular Properties

• Compound Name: 9-benzoyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;(4-isocyanophenyl)-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone;4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane;4-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl)benzenecarboximidamide;(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-phenylmethanone;1-oxa-4,9-diazaspiro[5.5]undecan-9-yl(phenyl)methanone
• PubChem CID: 159037732
• Molecular Formula: C89H123N15O12
• Molecular Weight: 1595.06 g/mol
• Exact Mass: 1593.95
• IUPAC Name: 9-benzoyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;(4-isocyanophenyl)-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone;4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane;4-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl)benzenecarboximidamide;(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-phenylmethanone;1-oxa-4,9-diazaspiro[5.5]undecan-9-yl(phenyl)methanone
• SMILES: CN1CCOC2(CCN(C(=O)c3ccccc3)CC2)C1.CN1CCOC2(CCNCC2)C1.O=C(c1ccccc1)N1CCC2(CC1)CNCCO2.O=C1COC2(CCN(C(=O)c3ccccc3)CC2)CN1.[C-]#[N+]c1ccc(C(=O)N2CCC3(CC2)CN(C)CCO3)cc1.[H]/N=C(\N)c1ccc(C(=O)N2CCC3(CC2)CN(C)CCO3)cc1
• InChI: InChI=1S/C17H24N4O2.C17H21N3O2.C16H22N2O2.C15H18N2O3.C15H20N2O2.C9H18N2O/c1-20-10-11-23-17(12-20)6-8-21(9-7-17)16(22)14-4-2-13(3-5-14)15(18)19;1-18-15-5-3-14(4-6-15)16(21)20-9-7-17(8-10-20)13-19(2)11-12-22-17;1-17-11-12-20-16(13-17)7-9-18(10-8-16)15(19)14-5-3-2-4-6-14;18-13-10-20-15(11-16-13)6-8-17(9-7-15)14(19)12-4-2-1-3-5-12;18-14(13-4-2-1-3-5-13)17-9-6-15(7-10-17)12-16-8-11-19-15;1-11-6-7-12-9(8-11)2-4-10-5-3-9/h2-5H,6-12H2,1H3,(H3,18,19);3-6H,7-13H2,2H3;2-6H,7-13H2,1H3;1-5H,6-11H2,(H,16,18);1-5,16H,6-12H2;10H,2-8H2,1H3
• InChIKey: JVQWXGBNMUWSDV-UHFFFAOYSA-N
• XLogP: 6.86
• TPSA: 277.28 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 19
• Rotatable Bonds: 6
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1595.06
LogP ≤ 5	6.86
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-benzoyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;(4-isocyanophenyl)-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone;4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane;4-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl)benzenecarboximidamide;(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-phenylmethanone;1-oxa-4,9-diazaspiro[5.5]undecan-9-yl(phenyl)methanone?

The IUPAC name of 9-benzoyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;(4-isocyanophenyl)-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone;4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane;4-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl)benzenecarboximidamide;(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-phenylmethanone;1-oxa-4,9-diazaspiro[5.5]undecan-9-yl(phenyl)methanone (CID 159037732) is 9-benzoyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;(4-isocyanophenyl)-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone;4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane;4-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl)benzenecarboximidamide;(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-phenylmethanone;1-oxa-4,9-diazaspiro[5.5]undecan-9-yl(phenyl)methanone.

What is the SMILES notation for 9-benzoyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;(4-isocyanophenyl)-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone;4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane;4-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl)benzenecarboximidamide;(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-phenylmethanone;1-oxa-4,9-diazaspiro[5.5]undecan-9-yl(phenyl)methanone?

The canonical SMILES for 9-benzoyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;(4-isocyanophenyl)-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone;4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane;4-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl)benzenecarboximidamide;(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-phenylmethanone;1-oxa-4,9-diazaspiro[5.5]undecan-9-yl(phenyl)methanone is CN1CCOC2(CCN(C(=O)c3ccccc3)CC2)C1.CN1CCOC2(CCNCC2)C1.O=C(c1ccccc1)N1CCC2(CC1)CNCCO2.O=C1COC2(CCN(C(=O)c3ccccc3)CC2)CN1.[C-]#[N+]c1ccc(C(=O)N2CCC3(CC2)CN(C)CCO3)cc1.[H]/N=C(\N)c1ccc(C(=O)N2CCC3(CC2)CN(C)CCO3)cc1.

What is the InChIKey of 9-benzoyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;(4-isocyanophenyl)-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone;4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane;4-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl)benzenecarboximidamide;(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-phenylmethanone;1-oxa-4,9-diazaspiro[5.5]undecan-9-yl(phenyl)methanone?

The InChIKey is JVQWXGBNMUWSDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2.C17H21N3O2.C16H22N2O2.C15H18N2O3.C15H20N2O2.C9H18N2O/c1-20-10-11-23-17(12-20)6-8-21(9-7-17)16(22)14-4-2-13(3-5-14)15(18)19;1-18-15-5-3-14(4-6-15)16(21)20-9-7-17(8-10-20)13-19(2)11-12-22-17;1-17-11-12-20-16(13-17)7-9-18(10-8-16)15(19)14-5-3-2-4-6-14;18-13-10-20-15(11-16-13)6-8-17(9-7-15)14(19)12-4-2-1-3-5-12;18-14(13-4-2-1-3-5-13)17-9-6-15(7-10-17)12-16-8-11-19-15;1-11-6-7-12-9(8-11)2-4-10-5-3-9/h2-5H,6-12H2,1H3,(H3,18,19);3-6H,7-13H2,2H3;2-6H,7-13H2,1H3;1-5H,6-11H2,(H,16,18);1-5,16H,6-12H2;10H,2-8H2,1H3.

What are the key properties of 9-benzoyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;(4-isocyanophenyl)-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone;4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane;4-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl)benzenecarboximidamide;(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-phenylmethanone;1-oxa-4,9-diazaspiro[5.5]undecan-9-yl(phenyl)methanone?

9-benzoyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;(4-isocyanophenyl)-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone;4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane;4-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl)benzenecarboximidamide;(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-phenylmethanone;1-oxa-4,9-diazaspiro[5.5]undecan-9-yl(phenyl)methanone has a molecular weight of 1595.06 g/mol, XLogP of 6.86, 6 rotatable bonds, 5 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 9-benzoyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;(4-isocyanophenyl)-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)methanone;4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane;4-(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl)benzenecarboximidamide;(4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl)-phenylmethanone;1-oxa-4,9-diazaspiro[5.5]undecan-9-yl(phenyl)methanone is sourced from PubChem (CID 159037732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).