3-(3-oxo-6-piperidin-4-yl-1H-isoindol-2-yl)piperidine-2,6-dione;3-[3-oxo-6-[1-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)piperidin-4-yl]-1H-isoindol-2-yl]piperidine-2,6-dione;5,6,7,8-tetrahydronaphthalene-2-carbaldehyde;hydrochloride

C58H67ClN6O7 — CID 158941402

About 3-(3-oxo-6-piperidin-4-yl-1H-isoindol-2-yl)piperidine-2,6-dione;3-[3-oxo-6-[1-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)piperidin-4-yl]-1H-isoindol-2-yl]piperidine-2,6-dione;5,6,7,8-tetrahydronaphthalene-2-carbaldehyde;hydrochloride

3-(3-oxo-6-piperidin-4-yl-1H-isoindol-2-yl)piperidine-2,6-dione;3-[3-oxo-6-[1-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)piperidin-4-yl]-1H-isoindol-2-yl]piperidine-2,6-dione;5,6,7,8-tetrahydronaphthalene-2-carbaldehyde;hydrochloride (PubChem CID 158941402) has the molecular formula C58H67ClN6O7 and a molecular weight of 995.66 g/mol. Its IUPAC name is 3-(3-oxo-6-piperidin-4-yl-1H-isoindol-2-yl)piperidine-2,6-dione;3-[3-oxo-6-[1-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)piperidin-4-yl]-1H-isoindol-2-yl]piperidine-2,6-dione;5,6,7,8-tetrahydronaphthalene-2-carbaldehyde;hydrochloride.

Molecular Properties

• Compound Name: 3-(3-oxo-6-piperidin-4-yl-1H-isoindol-2-yl)piperidine-2,6-dione;3-[3-oxo-6-[1-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)piperidin-4-yl]-1H-isoindol-2-yl]piperidine-2,6-dione;5,6,7,8-tetrahydronaphthalene-2-carbaldehyde;hydrochloride
• PubChem CID: 158941402
• Molecular Formula: C58H67ClN6O7
• Molecular Weight: 995.66 g/mol
• Exact Mass: 994.48
• IUPAC Name: 3-(3-oxo-6-piperidin-4-yl-1H-isoindol-2-yl)piperidine-2,6-dione;3-[3-oxo-6-[1-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)piperidin-4-yl]-1H-isoindol-2-yl]piperidine-2,6-dione;5,6,7,8-tetrahydronaphthalene-2-carbaldehyde;hydrochloride
• SMILES: Cl.O=C1CCC(N2Cc3cc(C4CCN(Cc5ccc6c(c5)CCCC6)CC4)ccc3C2=O)C(=O)N1.O=C1CCC(N2Cc3cc(C4CCNCC4)ccc3C2=O)C(=O)N1.O=Cc1ccc2c(c1)CCCC2
• InChI: InChI=1S/C29H33N3O3.C18H21N3O3.C11H12O.ClH/c33-27-10-9-26(28(34)30-27)32-18-24-16-23(7-8-25(24)29(32)35)21-11-13-31(14-12-21)17-19-5-6-20-3-1-2-4-22(20)15-19;22-16-4-3-15(17(23)20-16)21-10-13-9-12(1-2-14(13)18(21)24)11-5-7-19-8-6-11;12-8-9-5-6-10-3-1-2-4-11(10)7-9;/h5-8,15-16,21,26H,1-4,9-14,17-18H2,(H,30,33,34);1-2,9,11,15,19H,3-8,10H2,(H,20,22,23);5-8H,1-4H2;1H
• InChIKey: USTKHZFAFADEPX-UHFFFAOYSA-N
• XLogP: 7.42
• TPSA: 165.30 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	995.66
LogP ≤ 5	7.42
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(3-oxo-6-piperidin-4-yl-1H-isoindol-2-yl)piperidine-2,6-dione;3-[3-oxo-6-[1-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)piperidin-4-yl]-1H-isoindol-2-yl]piperidine-2,6-dione;5,6,7,8-tetrahydronaphthalene-2-carbaldehyde;hydrochloride?

The IUPAC name of 3-(3-oxo-6-piperidin-4-yl-1H-isoindol-2-yl)piperidine-2,6-dione;3-[3-oxo-6-[1-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)piperidin-4-yl]-1H-isoindol-2-yl]piperidine-2,6-dione;5,6,7,8-tetrahydronaphthalene-2-carbaldehyde;hydrochloride (CID 158941402) is 3-(3-oxo-6-piperidin-4-yl-1H-isoindol-2-yl)piperidine-2,6-dione;3-[3-oxo-6-[1-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)piperidin-4-yl]-1H-isoindol-2-yl]piperidine-2,6-dione;5,6,7,8-tetrahydronaphthalene-2-carbaldehyde;hydrochloride.

What is the SMILES notation for 3-(3-oxo-6-piperidin-4-yl-1H-isoindol-2-yl)piperidine-2,6-dione;3-[3-oxo-6-[1-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)piperidin-4-yl]-1H-isoindol-2-yl]piperidine-2,6-dione;5,6,7,8-tetrahydronaphthalene-2-carbaldehyde;hydrochloride?

The canonical SMILES for 3-(3-oxo-6-piperidin-4-yl-1H-isoindol-2-yl)piperidine-2,6-dione;3-[3-oxo-6-[1-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)piperidin-4-yl]-1H-isoindol-2-yl]piperidine-2,6-dione;5,6,7,8-tetrahydronaphthalene-2-carbaldehyde;hydrochloride is Cl.O=C1CCC(N2Cc3cc(C4CCN(Cc5ccc6c(c5)CCCC6)CC4)ccc3C2=O)C(=O)N1.O=C1CCC(N2Cc3cc(C4CCNCC4)ccc3C2=O)C(=O)N1.O=Cc1ccc2c(c1)CCCC2.

What is the InChIKey of 3-(3-oxo-6-piperidin-4-yl-1H-isoindol-2-yl)piperidine-2,6-dione;3-[3-oxo-6-[1-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)piperidin-4-yl]-1H-isoindol-2-yl]piperidine-2,6-dione;5,6,7,8-tetrahydronaphthalene-2-carbaldehyde;hydrochloride?

The InChIKey is USTKHZFAFADEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O3.C18H21N3O3.C11H12O.ClH/c33-27-10-9-26(28(34)30-27)32-18-24-16-23(7-8-25(24)29(32)35)21-11-13-31(14-12-21)17-19-5-6-20-3-1-2-4-22(20)15-19;22-16-4-3-15(17(23)20-16)21-10-13-9-12(1-2-14(13)18(21)24)11-5-7-19-8-6-11;12-8-9-5-6-10-3-1-2-4-11(10)7-9;/h5-8,15-16,21,26H,1-4,9-14,17-18H2,(H,30,33,34);1-2,9,11,15,19H,3-8,10H2,(H,20,22,23);5-8H,1-4H2;1H.

What are the key properties of 3-(3-oxo-6-piperidin-4-yl-1H-isoindol-2-yl)piperidine-2,6-dione;3-[3-oxo-6-[1-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)piperidin-4-yl]-1H-isoindol-2-yl]piperidine-2,6-dione;5,6,7,8-tetrahydronaphthalene-2-carbaldehyde;hydrochloride?

3-(3-oxo-6-piperidin-4-yl-1H-isoindol-2-yl)piperidine-2,6-dione;3-[3-oxo-6-[1-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)piperidin-4-yl]-1H-isoindol-2-yl]piperidine-2,6-dione;5,6,7,8-tetrahydronaphthalene-2-carbaldehyde;hydrochloride has a molecular weight of 995.66 g/mol, XLogP of 7.42, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3-oxo-6-piperidin-4-yl-1H-isoindol-2-yl)piperidine-2,6-dione;3-[3-oxo-6-[1-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)piperidin-4-yl]-1H-isoindol-2-yl]piperidine-2,6-dione;5,6,7,8-tetrahydronaphthalene-2-carbaldehyde;hydrochloride is sourced from PubChem (CID 158941402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).