4-(2,4-dioxo-1H-quinazolin-3-yl)piperidine-1-carbaldehyde;4-(2-methoxyphenyl)piperidine-1-carbaldehyde;bis(4-(2-oxo-3H-benzimidazol-1-yl)cyclohexane-1-carbaldehyde);4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carbaldehyde;4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)piperidine-1-carbaldehyde;4-(2-oxo-4-phenyl-1H-imidazol-3-yl)piperidine-1-carbaldehyde

C96H112N18O15 — CID 159682646

About 4-(2,4-dioxo-1H-quinazolin-3-yl)piperidine-1-carbaldehyde;4-(2-methoxyphenyl)piperidine-1-carbaldehyde;bis(4-(2-oxo-3H-benzimidazol-1-yl)cyclohexane-1-carbaldehyde);4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carbaldehyde;4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)piperidine-1-carbaldehyde;4-(2-oxo-4-phenyl-1H-imidazol-3-yl)piperidine-1-carbaldehyde

4-(2,4-dioxo-1H-quinazolin-3-yl)piperidine-1-carbaldehyde;4-(2-methoxyphenyl)piperidine-1-carbaldehyde;bis(4-(2-oxo-3H-benzimidazol-1-yl)cyclohexane-1-carbaldehyde);4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carbaldehyde;4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)piperidine-1-carbaldehyde;4-(2-oxo-4-phenyl-1H-imidazol-3-yl)piperidine-1-carbaldehyde (PubChem CID 159682646) has the molecular formula C96H112N18O15 and a molecular weight of 1758.06 g/mol. Its IUPAC name is 4-(2,4-dioxo-1H-quinazolin-3-yl)piperidine-1-carbaldehyde;4-(2-methoxyphenyl)piperidine-1-carbaldehyde;bis(4-(2-oxo-3H-benzimidazol-1-yl)cyclohexane-1-carbaldehyde);4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carbaldehyde;4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)piperidine-1-carbaldehyde;4-(2-oxo-4-phenyl-1H-imidazol-3-yl)piperidine-1-carbaldehyde.

Molecular Properties

• Compound Name: 4-(2,4-dioxo-1H-quinazolin-3-yl)piperidine-1-carbaldehyde;4-(2-methoxyphenyl)piperidine-1-carbaldehyde;bis(4-(2-oxo-3H-benzimidazol-1-yl)cyclohexane-1-carbaldehyde);4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carbaldehyde;4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)piperidine-1-carbaldehyde;4-(2-oxo-4-phenyl-1H-imidazol-3-yl)piperidine-1-carbaldehyde
• PubChem CID: 159682646
• Molecular Formula: C96H112N18O15
• Molecular Weight: 1758.06 g/mol
• Exact Mass: 1756.86
• IUPAC Name: 4-(2,4-dioxo-1H-quinazolin-3-yl)piperidine-1-carbaldehyde;4-(2-methoxyphenyl)piperidine-1-carbaldehyde;bis(4-(2-oxo-3H-benzimidazol-1-yl)cyclohexane-1-carbaldehyde);4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carbaldehyde;4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)piperidine-1-carbaldehyde;4-(2-oxo-4-phenyl-1H-imidazol-3-yl)piperidine-1-carbaldehyde
• SMILES: COc1ccccc1C1CCN(C=O)CC1.O=CC1CCC(n2c(=O)[nH]c3ccccc32)CC1.O=CC1CCC(n2c(=O)[nH]c3ccccc32)CC1.O=CN1CCC(N2Cc3ccccc3NC2=O)CC1.O=CN1CCC(n2c(-c3ccccc3)c[nH]c2=O)CC1.O=CN1CCC(n2c(=O)[nH]c3ccccc3c2=O)CC1.O=CN1CCC(n2c(=O)[nH]c3cccnc32)CC1
• InChI: InChI=1S/C15H17N3O2.C14H15N3O3.C14H17N3O2.2C14H16N2O2.C13H17NO2.C12H14N4O2/c19-11-17-8-6-13(7-9-17)18-14(10-16-15(18)20)12-4-2-1-3-5-12;18-9-16-7-5-10(6-8-16)17-13(19)11-3-1-2-4-12(11)15-14(17)20;18-10-16-7-5-12(6-8-16)17-9-11-3-1-2-4-13(11)15-14(17)19;2*17-9-10-5-7-11(8-6-10)16-13-4-2-1-3-12(13)15-14(16)18;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/h1-5,10-11,13H,6-9H2,(H,16,20);1-4,9-10H,5-8H2,(H,15,20);1-4,10,12H,5-9H2,(H,15,19);2*1-4,9-11H,5-8H2,(H,15,18);2-5,10-11H,6-9H2,1H3;1-2,5,8-9H,3-4,6-7H2,(H,14,18)
• InChIKey: MVJZFZIEUDPGOF-UHFFFAOYSA-N
• XLogP: 10.84
• TPSA: 396.17 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 21
• Rotatable Bonds: 16
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1758.06
LogP ≤ 5	10.84
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	21

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;4-(2-methoxyphenyl)piperidine-1-carbaldehyde;bis(4-(2-oxo-3H-benzimidazol-1-yl)cyclohexane-1-carbaldehyde);4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carbaldehyde;4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)piperidine-1-carbaldehyde;4-(2-oxo-4-phenyl-1H-imidazol-3-yl)piperidine-1-carbaldehyde?

The IUPAC name of 4-(2,4-dioxo-1H-quinazolin-3-yl)piperidine-1-carbaldehyde;4-(2-methoxyphenyl)piperidine-1-carbaldehyde;bis(4-(2-oxo-3H-benzimidazol-1-yl)cyclohexane-1-carbaldehyde);4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carbaldehyde;4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)piperidine-1-carbaldehyde;4-(2-oxo-4-phenyl-1H-imidazol-3-yl)piperidine-1-carbaldehyde (CID 159682646) is 4-(2,4-dioxo-1H-quinazolin-3-yl)piperidine-1-carbaldehyde;4-(2-methoxyphenyl)piperidine-1-carbaldehyde;bis(4-(2-oxo-3H-benzimidazol-1-yl)cyclohexane-1-carbaldehyde);4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carbaldehyde;4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)piperidine-1-carbaldehyde;4-(2-oxo-4-phenyl-1H-imidazol-3-yl)piperidine-1-carbaldehyde.

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

The canonical SMILES for 4-(2,4-dioxo-1H-quinazolin-3-yl)piperidine-1-carbaldehyde;4-(2-methoxyphenyl)piperidine-1-carbaldehyde;bis(4-(2-oxo-3H-benzimidazol-1-yl)cyclohexane-1-carbaldehyde);4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carbaldehyde;4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)piperidine-1-carbaldehyde;4-(2-oxo-4-phenyl-1H-imidazol-3-yl)piperidine-1-carbaldehyde is COc1ccccc1C1CCN(C=O)CC1.O=CC1CCC(n2c(=O)[nH]c3ccccc32)CC1.O=CC1CCC(n2c(=O)[nH]c3ccccc32)CC1.O=CN1CCC(N2Cc3ccccc3NC2=O)CC1.O=CN1CCC(n2c(-c3ccccc3)c[nH]c2=O)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;4-(2-methoxyphenyl)piperidine-1-carbaldehyde;bis(4-(2-oxo-3H-benzimidazol-1-yl)cyclohexane-1-carbaldehyde);4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carbaldehyde;4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)piperidine-1-carbaldehyde;4-(2-oxo-4-phenyl-1H-imidazol-3-yl)piperidine-1-carbaldehyde?

The InChIKey is MVJZFZIEUDPGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2.C14H15N3O3.C14H17N3O2.2C14H16N2O2.C13H17NO2.C12H14N4O2/c19-11-17-8-6-13(7-9-17)18-14(10-16-15(18)20)12-4-2-1-3-5-12;18-9-16-7-5-10(6-8-16)17-13(19)11-3-1-2-4-12(11)15-14(17)20;18-10-16-7-5-12(6-8-16)17-9-11-3-1-2-4-13(11)15-14(17)19;2*17-9-10-5-7-11(8-6-10)16-13-4-2-1-3-12(13)15-14(16)18;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/h1-5,10-11,13H,6-9H2,(H,16,20);1-4,9-10H,5-8H2,(H,15,20);1-4,10,12H,5-9H2,(H,15,19);2*1-4,9-11H,5-8H2,(H,15,18);2-5,10-11H,6-9H2,1H3;1-2,5,8-9H,3-4,6-7H2,(H,14,18).

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

4-(2,4-dioxo-1H-quinazolin-3-yl)piperidine-1-carbaldehyde;4-(2-methoxyphenyl)piperidine-1-carbaldehyde;bis(4-(2-oxo-3H-benzimidazol-1-yl)cyclohexane-1-carbaldehyde);4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carbaldehyde;4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)piperidine-1-carbaldehyde;4-(2-oxo-4-phenyl-1H-imidazol-3-yl)piperidine-1-carbaldehyde has a molecular weight of 1758.06 g/mol, XLogP of 10.84, 16 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2,4-dioxo-1H-quinazolin-3-yl)piperidine-1-carbaldehyde;4-(2-methoxyphenyl)piperidine-1-carbaldehyde;bis(4-(2-oxo-3H-benzimidazol-1-yl)cyclohexane-1-carbaldehyde);4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carbaldehyde;4-(2-oxo-1H-imidazo[4,5-b]pyridin-3-yl)piperidine-1-carbaldehyde;4-(2-oxo-4-phenyl-1H-imidazol-3-yl)piperidine-1-carbaldehyde is sourced from PubChem (CID 159682646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).