2-[(1-acetylpiperidin-4-ylidene)amino]oxy-5-pentyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione;5-butyl-2-(cyclohexylideneamino)oxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione;cyclopentyl N-[4-[(4,7-dioxo-5-pentyl-3H-pyrano[2,3-d]pyrimidin-2-yl)oxyimino]cyclohexyl]carbamate;2-[[1-(2,2-dimethylpropanoyl)piperidin-4-ylidene]amino]oxy-5-pentyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione;2-[[1-(2-methylpropanoyl)piperidin-4-ylidene]amino]oxy-5-pentyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione

C103H135N19O25 — CID 160664463

About 2-[(1-acetylpiperidin-4-ylidene)amino]oxy-5-pentyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione;5-butyl-2-(cyclohexylideneamino)oxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione;cyclopentyl N-[4-[(4,7-dioxo-5-pentyl-3H-pyrano[2,3-d]pyrimidin-2-yl)oxyimino]cyclohexyl]carbamate;2-[[1-(2,2-dimethylpropanoyl)piperidin-4-ylidene]amino]oxy-5-pentyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione;2-[[1-(2-methylpropanoyl)piperidin-4-ylidene]amino]oxy-5-pentyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione

2-[(1-acetylpiperidin-4-ylidene)amino]oxy-5-pentyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione;5-butyl-2-(cyclohexylideneamino)oxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione;cyclopentyl N-[4-[(4,7-dioxo-5-pentyl-3H-pyrano[2,3-d]pyrimidin-2-yl)oxyimino]cyclohexyl]carbamate;2-[[1-(2,2-dimethylpropanoyl)piperidin-4-ylidene]amino]oxy-5-pentyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione;2-[[1-(2-methylpropanoyl)piperidin-4-ylidene]amino]oxy-5-pentyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione (PubChem CID 160664463) has the molecular formula C103H135N19O25 and a molecular weight of 2039.32 g/mol. Its IUPAC name is 2-[(1-acetylpiperidin-4-ylidene)amino]oxy-5-pentyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione;5-butyl-2-(cyclohexylideneamino)oxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione;cyclopentyl N-[4-[(4,7-dioxo-5-pentyl-3H-pyrano[2,3-d]pyrimidin-2-yl)oxyimino]cyclohexyl]carbamate;2-[[1-(2,2-dimethylpropanoyl)piperidin-4-ylidene]amino]oxy-5-pentyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione;2-[[1-(2-methylpropanoyl)piperidin-4-ylidene]amino]oxy-5-pentyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

• Compound Name: 2-[(1-acetylpiperidin-4-ylidene)amino]oxy-5-pentyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione;5-butyl-2-(cyclohexylideneamino)oxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione;cyclopentyl N-[4-[(4,7-dioxo-5-pentyl-3H-pyrano[2,3-d]pyrimidin-2-yl)oxyimino]cyclohexyl]carbamate;2-[[1-(2,2-dimethylpropanoyl)piperidin-4-ylidene]amino]oxy-5-pentyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione;2-[[1-(2-methylpropanoyl)piperidin-4-ylidene]amino]oxy-5-pentyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione
• PubChem CID: 160664463
• Molecular Formula: C103H135N19O25
• Molecular Weight: 2039.32 g/mol
• Exact Mass: 2037.99
• IUPAC Name: 2-[(1-acetylpiperidin-4-ylidene)amino]oxy-5-pentyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione;5-butyl-2-(cyclohexylideneamino)oxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione;cyclopentyl N-[4-[(4,7-dioxo-5-pentyl-3H-pyrano[2,3-d]pyrimidin-2-yl)oxyimino]cyclohexyl]carbamate;2-[[1-(2,2-dimethylpropanoyl)piperidin-4-ylidene]amino]oxy-5-pentyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione;2-[[1-(2-methylpropanoyl)piperidin-4-ylidene]amino]oxy-5-pentyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione
• SMILES: CCCCCc1cc(=O)oc2nc(ON=C3CCC(NC(=O)OC4CCCC4)CC3)[nH]c(=O)c12.CCCCCc1cc(=O)oc2nc(ON=C3CCN(C(=O)C(C)(C)C)CC3)[nH]c(=O)c12.CCCCCc1cc(=O)oc2nc(ON=C3CCN(C(=O)C(C)C)CC3)[nH]c(=O)c12.CCCCCc1cc(=O)oc2nc(ON=C3CCN(C(C)=O)CC3)[nH]c(=O)c12.CCCCc1cc(=O)oc2nc(ON=C3CCCCC3)[nH]c(=O)c12
• InChI: InChI=1S/C24H32N4O6.C22H30N4O5.C21H28N4O5.C19H24N4O5.C17H21N3O4/c1-2-3-4-7-15-14-19(29)33-22-20(15)21(30)26-23(27-22)34-28-17-12-10-16(11-13-17)25-24(31)32-18-8-5-6-9-18;1-5-6-7-8-14-13-16(27)30-19-17(14)18(28)23-21(24-19)31-25-15-9-11-26(12-10-15)20(29)22(2,3)4;1-4-5-6-7-14-12-16(26)29-19-17(14)18(27)22-21(23-19)30-24-15-8-10-25(11-9-15)20(28)13(2)3;1-3-4-5-6-13-11-15(25)27-18-16(13)17(26)20-19(21-18)28-22-14-7-9-23(10-8-14)12(2)24;1-2-3-7-11-10-13(21)23-16-14(11)15(22)18-17(19-16)24-20-12-8-5-4-6-9-12/h14,16,18H,2-13H2,1H3,(H,25,31)(H,26,27,30);13H,5-12H2,1-4H3,(H,23,24,28);12-13H,4-11H2,1-3H3,(H,22,23,27);11H,3-10H2,1-2H3,(H,20,21,26);10H,2-9H2,1H3,(H,18,19,22)/b28-17-
• InChIKey: RMCKAENUPXCWFO-GWXVHPRASA-N
• XLogP: 14.49
• TPSA: 587.01 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 35
• Rotatable Bonds: 32
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2039.32
LogP ≤ 5	14.49
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(1-acetylpiperidin-4-ylidene)amino]oxy-5-pentyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione;5-butyl-2-(cyclohexylideneamino)oxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione;cyclopentyl N-[4-[(4,7-dioxo-5-pentyl-3H-pyrano[2,3-d]pyrimidin-2-yl)oxyimino]cyclohexyl]carbamate;2-[[1-(2,2-dimethylpropanoyl)piperidin-4-ylidene]amino]oxy-5-pentyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione;2-[[1-(2-methylpropanoyl)piperidin-4-ylidene]amino]oxy-5-pentyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione?

The IUPAC name of 2-[(1-acetylpiperidin-4-ylidene)amino]oxy-5-pentyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione;5-butyl-2-(cyclohexylideneamino)oxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione;cyclopentyl N-[4-[(4,7-dioxo-5-pentyl-3H-pyrano[2,3-d]pyrimidin-2-yl)oxyimino]cyclohexyl]carbamate;2-[[1-(2,2-dimethylpropanoyl)piperidin-4-ylidene]amino]oxy-5-pentyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione;2-[[1-(2-methylpropanoyl)piperidin-4-ylidene]amino]oxy-5-pentyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione (CID 160664463) is 2-[(1-acetylpiperidin-4-ylidene)amino]oxy-5-pentyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione;5-butyl-2-(cyclohexylideneamino)oxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione;cyclopentyl N-[4-[(4,7-dioxo-5-pentyl-3H-pyrano[2,3-d]pyrimidin-2-yl)oxyimino]cyclohexyl]carbamate;2-[[1-(2,2-dimethylpropanoyl)piperidin-4-ylidene]amino]oxy-5-pentyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione;2-[[1-(2-methylpropanoyl)piperidin-4-ylidene]amino]oxy-5-pentyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione.

What is the SMILES notation for 2-[(1-acetylpiperidin-4-ylidene)amino]oxy-5-pentyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione;5-butyl-2-(cyclohexylideneamino)oxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione;cyclopentyl N-[4-[(4,7-dioxo-5-pentyl-3H-pyrano[2,3-d]pyrimidin-2-yl)oxyimino]cyclohexyl]carbamate;2-[[1-(2,2-dimethylpropanoyl)piperidin-4-ylidene]amino]oxy-5-pentyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione;2-[[1-(2-methylpropanoyl)piperidin-4-ylidene]amino]oxy-5-pentyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione?

The canonical SMILES for 2-[(1-acetylpiperidin-4-ylidene)amino]oxy-5-pentyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione;5-butyl-2-(cyclohexylideneamino)oxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione;cyclopentyl N-[4-[(4,7-dioxo-5-pentyl-3H-pyrano[2,3-d]pyrimidin-2-yl)oxyimino]cyclohexyl]carbamate;2-[[1-(2,2-dimethylpropanoyl)piperidin-4-ylidene]amino]oxy-5-pentyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione;2-[[1-(2-methylpropanoyl)piperidin-4-ylidene]amino]oxy-5-pentyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione is CCCCCc1cc(=O)oc2nc(ON=C3CCC(NC(=O)OC4CCCC4)CC3)[nH]c(=O)c12.CCCCCc1cc(=O)oc2nc(ON=C3CCN(C(=O)C(C)(C)C)CC3)[nH]c(=O)c12.CCCCCc1cc(=O)oc2nc(ON=C3CCN(C(=O)C(C)C)CC3)[nH]c(=O)c12.CCCCCc1cc(=O)oc2nc(ON=C3CCN(C(C)=O)CC3)[nH]c(=O)c12.CCCCc1cc(=O)oc2nc(ON=C3CCCCC3)[nH]c(=O)c12.

What is the InChIKey of 2-[(1-acetylpiperidin-4-ylidene)amino]oxy-5-pentyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione;5-butyl-2-(cyclohexylideneamino)oxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione;cyclopentyl N-[4-[(4,7-dioxo-5-pentyl-3H-pyrano[2,3-d]pyrimidin-2-yl)oxyimino]cyclohexyl]carbamate;2-[[1-(2,2-dimethylpropanoyl)piperidin-4-ylidene]amino]oxy-5-pentyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione;2-[[1-(2-methylpropanoyl)piperidin-4-ylidene]amino]oxy-5-pentyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione?

The InChIKey is RMCKAENUPXCWFO-GWXVHPRASA-N. The full InChI is InChI=1S/C24H32N4O6.C22H30N4O5.C21H28N4O5.C19H24N4O5.C17H21N3O4/c1-2-3-4-7-15-14-19(29)33-22-20(15)21(30)26-23(27-22)34-28-17-12-10-16(11-13-17)25-24(31)32-18-8-5-6-9-18;1-5-6-7-8-14-13-16(27)30-19-17(14)18(28)23-21(24-19)31-25-15-9-11-26(12-10-15)20(29)22(2,3)4;1-4-5-6-7-14-12-16(26)29-19-17(14)18(27)22-21(23-19)30-24-15-8-10-25(11-9-15)20(28)13(2)3;1-3-4-5-6-13-11-15(25)27-18-16(13)17(26)20-19(21-18)28-22-14-7-9-23(10-8-14)12(2)24;1-2-3-7-11-10-13(21)23-16-14(11)15(22)18-17(19-16)24-20-12-8-5-4-6-9-12/h14,16,18H,2-13H2,1H3,(H,25,31)(H,26,27,30);13H,5-12H2,1-4H3,(H,23,24,28);12-13H,4-11H2,1-3H3,(H,22,23,27);11H,3-10H2,1-2H3,(H,20,21,26);10H,2-9H2,1H3,(H,18,19,22)/b28-17-;;;;.

What are the key properties of 2-[(1-acetylpiperidin-4-ylidene)amino]oxy-5-pentyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione;5-butyl-2-(cyclohexylideneamino)oxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione;cyclopentyl N-[4-[(4,7-dioxo-5-pentyl-3H-pyrano[2,3-d]pyrimidin-2-yl)oxyimino]cyclohexyl]carbamate;2-[[1-(2,2-dimethylpropanoyl)piperidin-4-ylidene]amino]oxy-5-pentyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione;2-[[1-(2-methylpropanoyl)piperidin-4-ylidene]amino]oxy-5-pentyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione?

2-[(1-acetylpiperidin-4-ylidene)amino]oxy-5-pentyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione;5-butyl-2-(cyclohexylideneamino)oxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione;cyclopentyl N-[4-[(4,7-dioxo-5-pentyl-3H-pyrano[2,3-d]pyrimidin-2-yl)oxyimino]cyclohexyl]carbamate;2-[[1-(2,2-dimethylpropanoyl)piperidin-4-ylidene]amino]oxy-5-pentyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione;2-[[1-(2-methylpropanoyl)piperidin-4-ylidene]amino]oxy-5-pentyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione has a molecular weight of 2039.32 g/mol, XLogP of 14.49, 32 rotatable bonds, 6 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(1-acetylpiperidin-4-ylidene)amino]oxy-5-pentyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione;5-butyl-2-(cyclohexylideneamino)oxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione;cyclopentyl N-[4-[(4,7-dioxo-5-pentyl-3H-pyrano[2,3-d]pyrimidin-2-yl)oxyimino]cyclohexyl]carbamate;2-[[1-(2,2-dimethylpropanoyl)piperidin-4-ylidene]amino]oxy-5-pentyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione;2-[[1-(2-methylpropanoyl)piperidin-4-ylidene]amino]oxy-5-pentyl-3H-pyrano[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 160664463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).