2-(2,6-dihydroxypiperidin-3-yl)-5-[7-[[1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methyl]-2,7-diazaspiro[4.4]nonan-2-yl]isoindole-1,3-dione

C48H55N5O5 — CID 170564451

About 2-(2,6-dihydroxypiperidin-3-yl)-5-[7-[[1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methyl]-2,7-diazaspiro[4.4]nonan-2-yl]isoindole-1,3-dione

2-(2,6-dihydroxypiperidin-3-yl)-5-[7-[[1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methyl]-2,7-diazaspiro[4.4]nonan-2-yl]isoindole-1,3-dione (PubChem CID 170564451) has the molecular formula C48H55N5O5 and a molecular weight of 782.00 g/mol. Its IUPAC name is 2-(2,6-dihydroxypiperidin-3-yl)-5-[7-[[1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methyl]-2,7-diazaspiro[4.4]nonan-2-yl]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-(2,6-dihydroxypiperidin-3-yl)-5-[7-[[1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methyl]-2,7-diazaspiro[4.4]nonan-2-yl]isoindole-1,3-dione
• PubChem CID: 170564451
• Molecular Formula: C48H55N5O5
• Molecular Weight: 782.00 g/mol
• Exact Mass: 781.42
• IUPAC Name: 2-(2,6-dihydroxypiperidin-3-yl)-5-[7-[[1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methyl]-2,7-diazaspiro[4.4]nonan-2-yl]isoindole-1,3-dione
• SMILES: O=C1c2ccc(N3CCC4(CCN(CC5CCN(c6ccc([C@@H]7c8ccc(O)cc8CC[C@@H]7c7ccccc7)cc6)CC5)C4)C3)cc2C(=O)N1C1CCC(O)NC1O
• InChI: InChI=1S/C48H55N5O5/c54-37-12-15-39-34(26-37)8-13-38(32-4-2-1-3-5-32)44(39)33-6-9-35(10-7-33)51-22-18-31(19-23-51)28-50-24-20-48(29-50)21-25-52(30-48)36-11-14-40-41(27-36)47(58)53(46(40)57)42-16-17-43(55)49-45(42)56/h1-7,9-12,14-15,26-27,31,38,42-45,49,54-56H,8,13,16-25,28-30H2/t38-,42?,43?,44+,45?,48?/m1/s1
• InChIKey: PAPYYWFBWNSQBY-CJPFDCJRSA-N
• XLogP: 6.06
• TPSA: 119.82 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	782.00
LogP ≤ 5	6.06
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dihydroxypiperidin-3-yl)-5-[7-[[1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methyl]-2,7-diazaspiro[4.4]nonan-2-yl]isoindole-1,3-dione?

The IUPAC name of 2-(2,6-dihydroxypiperidin-3-yl)-5-[7-[[1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methyl]-2,7-diazaspiro[4.4]nonan-2-yl]isoindole-1,3-dione (CID 170564451) is 2-(2,6-dihydroxypiperidin-3-yl)-5-[7-[[1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methyl]-2,7-diazaspiro[4.4]nonan-2-yl]isoindole-1,3-dione.

What is the SMILES notation for 2-(2,6-dihydroxypiperidin-3-yl)-5-[7-[[1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methyl]-2,7-diazaspiro[4.4]nonan-2-yl]isoindole-1,3-dione?

The canonical SMILES for 2-(2,6-dihydroxypiperidin-3-yl)-5-[7-[[1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methyl]-2,7-diazaspiro[4.4]nonan-2-yl]isoindole-1,3-dione is O=C1c2ccc(N3CCC4(CCN(CC5CCN(c6ccc([C@@H]7c8ccc(O)cc8CC[C@@H]7c7ccccc7)cc6)CC5)C4)C3)cc2C(=O)N1C1CCC(O)NC1O.

What is the InChIKey of 2-(2,6-dihydroxypiperidin-3-yl)-5-[7-[[1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methyl]-2,7-diazaspiro[4.4]nonan-2-yl]isoindole-1,3-dione?

The InChIKey is PAPYYWFBWNSQBY-CJPFDCJRSA-N. The full InChI is InChI=1S/C48H55N5O5/c54-37-12-15-39-34(26-37)8-13-38(32-4-2-1-3-5-32)44(39)33-6-9-35(10-7-33)51-22-18-31(19-23-51)28-50-24-20-48(29-50)21-25-52(30-48)36-11-14-40-41(27-36)47(58)53(46(40)57)42-16-17-43(55)49-45(42)56/h1-7,9-12,14-15,26-27,31,38,42-45,49,54-56H,8,13,16-25,28-30H2/t38-,42?,43?,44+,45?,48?/m1/s1.

What are the key properties of 2-(2,6-dihydroxypiperidin-3-yl)-5-[7-[[1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methyl]-2,7-diazaspiro[4.4]nonan-2-yl]isoindole-1,3-dione?

2-(2,6-dihydroxypiperidin-3-yl)-5-[7-[[1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methyl]-2,7-diazaspiro[4.4]nonan-2-yl]isoindole-1,3-dione has a molecular weight of 782.00 g/mol, XLogP of 6.06, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-dihydroxypiperidin-3-yl)-5-[7-[[1-[4-[(1R,2S)-6-hydroxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methyl]-2,7-diazaspiro[4.4]nonan-2-yl]isoindole-1,3-dione is sourced from PubChem (CID 170564451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).