4-(2,4-dioxo-1H-quinazolin-3-yl)piperidine-1-carbaldehyde;1-formyl-4-phenylpiperidine-4-carbonitrile;1-formylpiperidine-4-carboxamide;4-(2-methoxyphenyl)piperidine-1-carbaldehyde;bis(4-(2-oxo-3H-benzimidazol-1-yl)cyclohexane-1-carbaldehyde);4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)piperidine-1-carbaldehyde

C87H104N16O14 — CID 158593346

About 4-(2,4-dioxo-1H-quinazolin-3-yl)piperidine-1-carbaldehyde;1-formyl-4-phenylpiperidine-4-carbonitrile;1-formylpiperidine-4-carboxamide;4-(2-methoxyphenyl)piperidine-1-carbaldehyde;bis(4-(2-oxo-3H-benzimidazol-1-yl)cyclohexane-1-carbaldehyde);4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)piperidine-1-carbaldehyde

4-(2,4-dioxo-1H-quinazolin-3-yl)piperidine-1-carbaldehyde;1-formyl-4-phenylpiperidine-4-carbonitrile;1-formylpiperidine-4-carboxamide;4-(2-methoxyphenyl)piperidine-1-carbaldehyde;bis(4-(2-oxo-3H-benzimidazol-1-yl)cyclohexane-1-carbaldehyde);4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)piperidine-1-carbaldehyde (PubChem CID 158593346) has the molecular formula C87H104N16O14 and a molecular weight of 1597.89 g/mol. Its IUPAC name is 4-(2,4-dioxo-1H-quinazolin-3-yl)piperidine-1-carbaldehyde;1-formyl-4-phenylpiperidine-4-carbonitrile;1-formylpiperidine-4-carboxamide;4-(2-methoxyphenyl)piperidine-1-carbaldehyde;bis(4-(2-oxo-3H-benzimidazol-1-yl)cyclohexane-1-carbaldehyde);4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)piperidine-1-carbaldehyde.

Molecular Properties

• Compound Name: 4-(2,4-dioxo-1H-quinazolin-3-yl)piperidine-1-carbaldehyde;1-formyl-4-phenylpiperidine-4-carbonitrile;1-formylpiperidine-4-carboxamide;4-(2-methoxyphenyl)piperidine-1-carbaldehyde;bis(4-(2-oxo-3H-benzimidazol-1-yl)cyclohexane-1-carbaldehyde);4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)piperidine-1-carbaldehyde
• PubChem CID: 158593346
• Molecular Formula: C87H104N16O14
• Molecular Weight: 1597.89 g/mol
• Exact Mass: 1596.79
• IUPAC Name: 4-(2,4-dioxo-1H-quinazolin-3-yl)piperidine-1-carbaldehyde;1-formyl-4-phenylpiperidine-4-carbonitrile;1-formylpiperidine-4-carboxamide;4-(2-methoxyphenyl)piperidine-1-carbaldehyde;bis(4-(2-oxo-3H-benzimidazol-1-yl)cyclohexane-1-carbaldehyde);4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)piperidine-1-carbaldehyde
• SMILES: COc1ccccc1C1CCN(C=O)CC1.N#CC1(c2ccccc2)CCN(C=O)CC1.NC(=O)C1CCN(C=O)CC1.O=CC1CCC(n2c(=O)[nH]c3ccccc32)CC1.O=CC1CCC(n2c(=O)[nH]c3ccccc32)CC1.O=CN1CCC(n2c(=O)[nH]c3ccccc3c2=O)CC1.O=CN1CCC(n2c(=O)[nH]c3cccnc32)CC1
• InChI: InChI=1S/C14H15N3O3.2C14H16N2O2.C13H14N2O.C13H17NO2.C12H14N4O2.C7H12N2O2/c18-9-16-7-5-10(6-8-16)17-13(19)11-3-1-2-4-12(11)15-14(17)20;2*17-9-10-5-7-11(8-6-10)16-13-4-2-1-3-12(13)15-14(16)18;14-10-13(12-4-2-1-3-5-12)6-8-15(11-16)9-7-13;1-16-13-5-3-2-4-12(13)11-6-8-14(10-15)9-7-11;17-8-15-6-3-9(4-7-15)16-11-10(14-12(16)18)2-1-5-13-11;8-7(11)6-1-3-9(5-10)4-2-6/h1-4,9-10H,5-8H2,(H,15,20);2*1-4,9-11H,5-8H2,(H,15,18);1-5,11H,6-9H2;2-5,10-11H,6-9H2,1H3;1-2,5,8-9H,3-4,6-7H2,(H,14,18);5-6H,1-4H2,(H2,8,11)
• InChIKey: HUSGGQDZOKVIBQ-UHFFFAOYSA-N
• XLogP: 8.59
• TPSA: 392.92 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 20
• Rotatable Bonds: 15
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1597.89
LogP ≤ 5	8.59
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dioxo-1H-quinazolin-3-yl)piperidine-1-carbaldehyde;1-formyl-4-phenylpiperidine-4-carbonitrile;1-formylpiperidine-4-carboxamide;4-(2-methoxyphenyl)piperidine-1-carbaldehyde;bis(4-(2-oxo-3H-benzimidazol-1-yl)cyclohexane-1-carbaldehyde);4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)piperidine-1-carbaldehyde?

The IUPAC name of 4-(2,4-dioxo-1H-quinazolin-3-yl)piperidine-1-carbaldehyde;1-formyl-4-phenylpiperidine-4-carbonitrile;1-formylpiperidine-4-carboxamide;4-(2-methoxyphenyl)piperidine-1-carbaldehyde;bis(4-(2-oxo-3H-benzimidazol-1-yl)cyclohexane-1-carbaldehyde);4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)piperidine-1-carbaldehyde (CID 158593346) is 4-(2,4-dioxo-1H-quinazolin-3-yl)piperidine-1-carbaldehyde;1-formyl-4-phenylpiperidine-4-carbonitrile;1-formylpiperidine-4-carboxamide;4-(2-methoxyphenyl)piperidine-1-carbaldehyde;bis(4-(2-oxo-3H-benzimidazol-1-yl)cyclohexane-1-carbaldehyde);4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)piperidine-1-carbaldehyde.

What is the SMILES notation for 4-(2,4-dioxo-1H-quinazolin-3-yl)piperidine-1-carbaldehyde;1-formyl-4-phenylpiperidine-4-carbonitrile;1-formylpiperidine-4-carboxamide;4-(2-methoxyphenyl)piperidine-1-carbaldehyde;bis(4-(2-oxo-3H-benzimidazol-1-yl)cyclohexane-1-carbaldehyde);4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)piperidine-1-carbaldehyde?

The canonical SMILES for 4-(2,4-dioxo-1H-quinazolin-3-yl)piperidine-1-carbaldehyde;1-formyl-4-phenylpiperidine-4-carbonitrile;1-formylpiperidine-4-carboxamide;4-(2-methoxyphenyl)piperidine-1-carbaldehyde;bis(4-(2-oxo-3H-benzimidazol-1-yl)cyclohexane-1-carbaldehyde);4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)piperidine-1-carbaldehyde is COc1ccccc1C1CCN(C=O)CC1.N#CC1(c2ccccc2)CCN(C=O)CC1.NC(=O)C1CCN(C=O)CC1.O=CC1CCC(n2c(=O)[nH]c3ccccc32)CC1.O=CC1CCC(n2c(=O)[nH]c3ccccc32)CC1.O=CN1CCC(n2c(=O)[nH]c3ccccc3c2=O)CC1.O=CN1CCC(n2c(=O)[nH]c3cccnc32)CC1.

What is the InChIKey of 4-(2,4-dioxo-1H-quinazolin-3-yl)piperidine-1-carbaldehyde;1-formyl-4-phenylpiperidine-4-carbonitrile;1-formylpiperidine-4-carboxamide;4-(2-methoxyphenyl)piperidine-1-carbaldehyde;bis(4-(2-oxo-3H-benzimidazol-1-yl)cyclohexane-1-carbaldehyde);4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)piperidine-1-carbaldehyde?

The InChIKey is HUSGGQDZOKVIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3.2C14H16N2O2.C13H14N2O.C13H17NO2.C12H14N4O2.C7H12N2O2/c18-9-16-7-5-10(6-8-16)17-13(19)11-3-1-2-4-12(11)15-14(17)20;2*17-9-10-5-7-11(8-6-10)16-13-4-2-1-3-12(13)15-14(16)18;14-10-13(12-4-2-1-3-5-12)6-8-15(11-16)9-7-13;1-16-13-5-3-2-4-12(13)11-6-8-14(10-15)9-7-11;17-8-15-6-3-9(4-7-15)16-11-10(14-12(16)18)2-1-5-13-11;8-7(11)6-1-3-9(5-10)4-2-6/h1-4,9-10H,5-8H2,(H,15,20);2*1-4,9-11H,5-8H2,(H,15,18);1-5,11H,6-9H2;2-5,10-11H,6-9H2,1H3;1-2,5,8-9H,3-4,6-7H2,(H,14,18);5-6H,1-4H2,(H2,8,11).

What are the key properties of 4-(2,4-dioxo-1H-quinazolin-3-yl)piperidine-1-carbaldehyde;1-formyl-4-phenylpiperidine-4-carbonitrile;1-formylpiperidine-4-carboxamide;4-(2-methoxyphenyl)piperidine-1-carbaldehyde;bis(4-(2-oxo-3H-benzimidazol-1-yl)cyclohexane-1-carbaldehyde);4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)piperidine-1-carbaldehyde?

4-(2,4-dioxo-1H-quinazolin-3-yl)piperidine-1-carbaldehyde;1-formyl-4-phenylpiperidine-4-carbonitrile;1-formylpiperidine-4-carboxamide;4-(2-methoxyphenyl)piperidine-1-carbaldehyde;bis(4-(2-oxo-3H-benzimidazol-1-yl)cyclohexane-1-carbaldehyde);4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)piperidine-1-carbaldehyde has a molecular weight of 1597.89 g/mol, XLogP of 8.59, 15 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2,4-dioxo-1H-quinazolin-3-yl)piperidine-1-carbaldehyde;1-formyl-4-phenylpiperidine-4-carbonitrile;1-formylpiperidine-4-carboxamide;4-(2-methoxyphenyl)piperidine-1-carbaldehyde;bis(4-(2-oxo-3H-benzimidazol-1-yl)cyclohexane-1-carbaldehyde);4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)piperidine-1-carbaldehyde is sourced from PubChem (CID 158593346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).