1,3-diazaspiro[4.5]decane-2,4,8-trione;1,4-dioxaspiro[4.5]decan-8-one;3-[(4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,8-dione;2-[(4-methoxyphenyl)methyl]-9,12-dioxa-2,4-diazadispiro[4.2.48.25]tetradecane-1,3-dione;2-[(4-methoxyphenyl)methyl]-9,12-dioxa-2,4-diazadispiro[4.2.48.25]tetradecan-3-one

C68H88N8O18 — CID 162057655

About 1,3-diazaspiro[4.5]decane-2,4,8-trione;1,4-dioxaspiro[4.5]decan-8-one;3-[(4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,8-dione;2-[(4-methoxyphenyl)methyl]-9,12-dioxa-2,4-diazadispiro[4.2.48.25]tetradecane-1,3-dione;2-[(4-methoxyphenyl)methyl]-9,12-dioxa-2,4-diazadispiro[4.2.48.25]tetradecan-3-one

1,3-diazaspiro[4.5]decane-2,4,8-trione;1,4-dioxaspiro[4.5]decan-8-one;3-[(4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,8-dione;2-[(4-methoxyphenyl)methyl]-9,12-dioxa-2,4-diazadispiro[4.2.48.25]tetradecane-1,3-dione;2-[(4-methoxyphenyl)methyl]-9,12-dioxa-2,4-diazadispiro[4.2.48.25]tetradecan-3-one (PubChem CID 162057655) has the molecular formula C68H88N8O18 and a molecular weight of 1305.49 g/mol. Its IUPAC name is 1,3-diazaspiro[4.5]decane-2,4,8-trione;1,4-dioxaspiro[4.5]decan-8-one;3-[(4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,8-dione;2-[(4-methoxyphenyl)methyl]-9,12-dioxa-2,4-diazadispiro[4.2.48.25]tetradecane-1,3-dione;2-[(4-methoxyphenyl)methyl]-9,12-dioxa-2,4-diazadispiro[4.2.48.25]tetradecan-3-one.

Molecular Properties

• Compound Name: 1,3-diazaspiro[4.5]decane-2,4,8-trione;1,4-dioxaspiro[4.5]decan-8-one;3-[(4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,8-dione;2-[(4-methoxyphenyl)methyl]-9,12-dioxa-2,4-diazadispiro[4.2.48.25]tetradecane-1,3-dione;2-[(4-methoxyphenyl)methyl]-9,12-dioxa-2,4-diazadispiro[4.2.48.25]tetradecan-3-one
• PubChem CID: 162057655
• Molecular Formula: C68H88N8O18
• Molecular Weight: 1305.49 g/mol
• Exact Mass: 1304.62
• IUPAC Name: 1,3-diazaspiro[4.5]decane-2,4,8-trione;1,4-dioxaspiro[4.5]decan-8-one;3-[(4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,8-dione;2-[(4-methoxyphenyl)methyl]-9,12-dioxa-2,4-diazadispiro[4.2.48.25]tetradecane-1,3-dione;2-[(4-methoxyphenyl)methyl]-9,12-dioxa-2,4-diazadispiro[4.2.48.25]tetradecan-3-one
• SMILES: COc1ccc(CN2C(=O)NC3(CCC4(CC3)OCCO4)C2=O)cc1.COc1ccc(CN2CC3(CCC(=O)CC3)NC2=O)cc1.COc1ccc(CN2CC3(CCC4(CC3)OCCO4)NC2=O)cc1.O=C1CCC2(CC1)NC(=O)NC2=O.O=C1CCC2(CC1)OCCO2
• InChI: InChI=1S/C18H22N2O5.C18H24N2O4.C16H20N2O3.C8H10N2O3.C8H12O3/c1-23-14-4-2-13(3-5-14)12-20-15(21)17(19-16(20)22)6-8-18(9-7-17)24-10-11-25-18;1-22-15-4-2-14(3-5-15)12-20-13-17(19-16(20)21)6-8-18(9-7-17)23-10-11-24-18;1-21-14-4-2-12(3-5-14)10-18-11-16(17-15(18)20)8-6-13(19)7-9-16;11-5-1-3-8(4-2-5)6(12)9-7(13)10-8;9-7-1-3-8(4-2-7)10-5-6-11-8/h2-5H,6-12H2,1H3,(H,19,22);2-5H,6-13H2,1H3,(H,19,21);2-5H,6-11H2,1H3,(H,17,20);1-4H2,(H2,9,10,12,13);1-6H2
• InChIKey: YZKBHKWEMSIJDY-UHFFFAOYSA-N
• XLogP: 6.76
• TPSA: 306.57 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 18
• Rotatable Bonds: 9
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1305.49
LogP ≤ 5	6.76
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,3-diazaspiro[4.5]decane-2,4,8-trione;1,4-dioxaspiro[4.5]decan-8-one;3-[(4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,8-dione;2-[(4-methoxyphenyl)methyl]-9,12-dioxa-2,4-diazadispiro[4.2.48.25]tetradecane-1,3-dione;2-[(4-methoxyphenyl)methyl]-9,12-dioxa-2,4-diazadispiro[4.2.48.25]tetradecan-3-one?

The IUPAC name of 1,3-diazaspiro[4.5]decane-2,4,8-trione;1,4-dioxaspiro[4.5]decan-8-one;3-[(4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,8-dione;2-[(4-methoxyphenyl)methyl]-9,12-dioxa-2,4-diazadispiro[4.2.48.25]tetradecane-1,3-dione;2-[(4-methoxyphenyl)methyl]-9,12-dioxa-2,4-diazadispiro[4.2.48.25]tetradecan-3-one (CID 162057655) is 1,3-diazaspiro[4.5]decane-2,4,8-trione;1,4-dioxaspiro[4.5]decan-8-one;3-[(4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,8-dione;2-[(4-methoxyphenyl)methyl]-9,12-dioxa-2,4-diazadispiro[4.2.48.25]tetradecane-1,3-dione;2-[(4-methoxyphenyl)methyl]-9,12-dioxa-2,4-diazadispiro[4.2.48.25]tetradecan-3-one.

What is the SMILES notation for 1,3-diazaspiro[4.5]decane-2,4,8-trione;1,4-dioxaspiro[4.5]decan-8-one;3-[(4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,8-dione;2-[(4-methoxyphenyl)methyl]-9,12-dioxa-2,4-diazadispiro[4.2.48.25]tetradecane-1,3-dione;2-[(4-methoxyphenyl)methyl]-9,12-dioxa-2,4-diazadispiro[4.2.48.25]tetradecan-3-one?

The canonical SMILES for 1,3-diazaspiro[4.5]decane-2,4,8-trione;1,4-dioxaspiro[4.5]decan-8-one;3-[(4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,8-dione;2-[(4-methoxyphenyl)methyl]-9,12-dioxa-2,4-diazadispiro[4.2.48.25]tetradecane-1,3-dione;2-[(4-methoxyphenyl)methyl]-9,12-dioxa-2,4-diazadispiro[4.2.48.25]tetradecan-3-one is COc1ccc(CN2C(=O)NC3(CCC4(CC3)OCCO4)C2=O)cc1.COc1ccc(CN2CC3(CCC(=O)CC3)NC2=O)cc1.COc1ccc(CN2CC3(CCC4(CC3)OCCO4)NC2=O)cc1.O=C1CCC2(CC1)NC(=O)NC2=O.O=C1CCC2(CC1)OCCO2.

What is the InChIKey of 1,3-diazaspiro[4.5]decane-2,4,8-trione;1,4-dioxaspiro[4.5]decan-8-one;3-[(4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,8-dione;2-[(4-methoxyphenyl)methyl]-9,12-dioxa-2,4-diazadispiro[4.2.48.25]tetradecane-1,3-dione;2-[(4-methoxyphenyl)methyl]-9,12-dioxa-2,4-diazadispiro[4.2.48.25]tetradecan-3-one?

The InChIKey is YZKBHKWEMSIJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5.C18H24N2O4.C16H20N2O3.C8H10N2O3.C8H12O3/c1-23-14-4-2-13(3-5-14)12-20-15(21)17(19-16(20)22)6-8-18(9-7-17)24-10-11-25-18;1-22-15-4-2-14(3-5-15)12-20-13-17(19-16(20)21)6-8-18(9-7-17)23-10-11-24-18;1-21-14-4-2-12(3-5-14)10-18-11-16(17-15(18)20)8-6-13(19)7-9-16;11-5-1-3-8(4-2-5)6(12)9-7(13)10-8;9-7-1-3-8(4-2-7)10-5-6-11-8/h2-5H,6-12H2,1H3,(H,19,22);2-5H,6-13H2,1H3,(H,19,21);2-5H,6-11H2,1H3,(H,17,20);1-4H2,(H2,9,10,12,13);1-6H2.

What are the key properties of 1,3-diazaspiro[4.5]decane-2,4,8-trione;1,4-dioxaspiro[4.5]decan-8-one;3-[(4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,8-dione;2-[(4-methoxyphenyl)methyl]-9,12-dioxa-2,4-diazadispiro[4.2.48.25]tetradecane-1,3-dione;2-[(4-methoxyphenyl)methyl]-9,12-dioxa-2,4-diazadispiro[4.2.48.25]tetradecan-3-one?

1,3-diazaspiro[4.5]decane-2,4,8-trione;1,4-dioxaspiro[4.5]decan-8-one;3-[(4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,8-dione;2-[(4-methoxyphenyl)methyl]-9,12-dioxa-2,4-diazadispiro[4.2.48.25]tetradecane-1,3-dione;2-[(4-methoxyphenyl)methyl]-9,12-dioxa-2,4-diazadispiro[4.2.48.25]tetradecan-3-one has a molecular weight of 1305.49 g/mol, XLogP of 6.76, 9 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-diazaspiro[4.5]decane-2,4,8-trione;1,4-dioxaspiro[4.5]decan-8-one;3-[(4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,8-dione;2-[(4-methoxyphenyl)methyl]-9,12-dioxa-2,4-diazadispiro[4.2.48.25]tetradecane-1,3-dione;2-[(4-methoxyphenyl)methyl]-9,12-dioxa-2,4-diazadispiro[4.2.48.25]tetradecan-3-one is sourced from PubChem (CID 162057655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).