(3S)-3-[6-[4-[[1-[4-[(1R,2R)-6-hydroxy-2-methyl-2-phenyl-3,4-dihydro-1H-naphthalen-1-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C46H51N5O4 — CID 170707043

About (3S)-3-[6-[4-[[1-[4-[(1R,2R)-6-hydroxy-2-methyl-2-phenyl-3,4-dihydro-1H-naphthalen-1-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

(3S)-3-[6-[4-[[1-[4-[(1R,2R)-6-hydroxy-2-methyl-2-phenyl-3,4-dihydro-1H-naphthalen-1-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 170707043) has the molecular formula C46H51N5O4 and a molecular weight of 737.95 g/mol. Its IUPAC name is (3S)-3-[6-[4-[[1-[4-[(1R,2R)-6-hydroxy-2-methyl-2-phenyl-3,4-dihydro-1H-naphthalen-1-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: (3S)-3-[6-[4-[[1-[4-[(1R,2R)-6-hydroxy-2-methyl-2-phenyl-3,4-dihydro-1H-naphthalen-1-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
• PubChem CID: 170707043
• Molecular Formula: C46H51N5O4
• Molecular Weight: 737.95 g/mol
• Exact Mass: 737.39
• IUPAC Name: (3S)-3-[6-[4-[[1-[4-[(1R,2R)-6-hydroxy-2-methyl-2-phenyl-3,4-dihydro-1H-naphthalen-1-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
• SMILES: C[C@@]1(c2ccccc2)CCc2cc(O)ccc2[C@@H]1c1ccc(N2CCC(CN3CCN(c4ccc5c(c4)CN([C@H]4CCC(=O)NC4=O)C5=O)CC3)CC2)cc1
• InChI: InChI=1S/C46H51N5O4/c1-46(35-5-3-2-4-6-35)20-17-33-28-38(52)12-14-39(33)43(46)32-7-9-36(10-8-32)49-21-18-31(19-22-49)29-48-23-25-50(26-24-48)37-11-13-40-34(27-37)30-51(45(40)55)41-15-16-42(53)47-44(41)54/h2-14,27-28,31,41,43,52H,15-26,29-30H2,1H3,(H,47,53,54)/t41-,43-,46-/m0/s1
• InChIKey: FQWCKXJYODQXQB-ZRYWYDGPSA-N
• XLogP: 6.23
• TPSA: 96.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	737.95
LogP ≤ 5	6.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[6-[4-[[1-[4-[(1R,2R)-6-hydroxy-2-methyl-2-phenyl-3,4-dihydro-1H-naphthalen-1-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The IUPAC name of (3S)-3-[6-[4-[[1-[4-[(1R,2R)-6-hydroxy-2-methyl-2-phenyl-3,4-dihydro-1H-naphthalen-1-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 170707043) is (3S)-3-[6-[4-[[1-[4-[(1R,2R)-6-hydroxy-2-methyl-2-phenyl-3,4-dihydro-1H-naphthalen-1-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

What is the SMILES notation for (3S)-3-[6-[4-[[1-[4-[(1R,2R)-6-hydroxy-2-methyl-2-phenyl-3,4-dihydro-1H-naphthalen-1-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The canonical SMILES for (3S)-3-[6-[4-[[1-[4-[(1R,2R)-6-hydroxy-2-methyl-2-phenyl-3,4-dihydro-1H-naphthalen-1-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is C[C@@]1(c2ccccc2)CCc2cc(O)ccc2[C@@H]1c1ccc(N2CCC(CN3CCN(c4ccc5c(c4)CN([C@H]4CCC(=O)NC4=O)C5=O)CC3)CC2)cc1.

What is the InChIKey of (3S)-3-[6-[4-[[1-[4-[(1R,2R)-6-hydroxy-2-methyl-2-phenyl-3,4-dihydro-1H-naphthalen-1-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The InChIKey is FQWCKXJYODQXQB-ZRYWYDGPSA-N. The full InChI is InChI=1S/C46H51N5O4/c1-46(35-5-3-2-4-6-35)20-17-33-28-38(52)12-14-39(33)43(46)32-7-9-36(10-8-32)49-21-18-31(19-22-49)29-48-23-25-50(26-24-48)37-11-13-40-34(27-37)30-51(45(40)55)41-15-16-42(53)47-44(41)54/h2-14,27-28,31,41,43,52H,15-26,29-30H2,1H3,(H,47,53,54)/t41-,43-,46-/m0/s1.

What are the key properties of (3S)-3-[6-[4-[[1-[4-[(1R,2R)-6-hydroxy-2-methyl-2-phenyl-3,4-dihydro-1H-naphthalen-1-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

(3S)-3-[6-[4-[[1-[4-[(1R,2R)-6-hydroxy-2-methyl-2-phenyl-3,4-dihydro-1H-naphthalen-1-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 737.95 g/mol, XLogP of 6.23, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-3-[6-[4-[[1-[4-[(1R,2R)-6-hydroxy-2-methyl-2-phenyl-3,4-dihydro-1H-naphthalen-1-yl]phenyl]piperidin-4-yl]methyl]piperazin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 170707043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).