2-[(2S,3S)-1-benzhydryl-2-phenylpiperidin-3-yl]isoindole-1,3-dione

C32H28N2O2 — CID 132529028

IUPAC2-[(2S,3S)-1-benzhydryl-2-phenylpiperidin-3-yl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1[C@H]1CCCN(C(c2ccccc2)c2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C32H28N2O2/c35-31-26-19-10-11-20-27(26)32(36)34(31)28-21-12-22-33(30(28)25-17-8-3-9-18-25)29(23-13-4-1-5-14-23)24-15-6-2-7-16-24/h1-11,13-20,28-30H,12,21-22H2/t28-,30-/m0/s1
InChIKeyRAPVCXPZXLMKGV-JDXGNMNLSA-N
MW472.59 g/mol
LogP6.28
Rot. Bonds5

About 2-[(2S,3S)-1-benzhydryl-2-phenylpiperidin-3-yl]isoindole-1,3-dione

2-[(2S,3S)-1-benzhydryl-2-phenylpiperidin-3-yl]isoindole-1,3-dione (PubChem CID 132529028) has the molecular formula C32H28N2O2 and a molecular weight of 472.59 g/mol. Its IUPAC name is 2-[(2S,3S)-1-benzhydryl-2-phenylpiperidin-3-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(2S,3S)-1-benzhydryl-2-phenylpiperidin-3-yl]isoindole-1,3-dione
PubChem CID132529028
Molecular FormulaC32H28N2O2
Molecular Weight472.59 g/mol
Exact Mass472.22
IUPAC Name2-[(2S,3S)-1-benzhydryl-2-phenylpiperidin-3-yl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1[C@H]1CCCN(C(c2ccccc2)c2ccccc2)[C@H]1c1ccccc1
InChIInChI=1S/C32H28N2O2/c35-31-26-19-10-11-20-27(26)32(36)34(31)28-21-12-22-33(30(28)25-17-8-3-9-18-25)29(23-13-4-1-5-14-23)24-15-6-2-7-16-24/h1-11,13-20,28-30H,12,21-22H2/t28-,30-/m0/s1
InChIKeyRAPVCXPZXLMKGV-JDXGNMNLSA-N
XLogP6.28
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.59
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(2S,3S)-1-benzhydryl-2-phenylpiperidin-3-yl]isoindole-1,3-dione with MolForge

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Related Compounds

2-[(1R)-2-phenylcyclopentyl]isoindole-1,3-dione
CID 142191199
2-[2-(1,3-dioxoisoindol-2-yl)cyclohexyl]isoindole-1,3-dione
CID 2911337
(3aR,7aR)-1-benzhydryl-3,3a,5,6,7,7a-hexahydro-2H-indol-4-one
CID 178143439
2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]isoindole-1,3-dione
CID 11906128
2-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]isoindole-1,3-dione
CID 18645244
2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]isoindole-1,3-dione
CID 1296952
methyl (2S)-1-benzhydrylpyrrolidine-2-carboxylate
CID 163261886
2-cyclodecylisoindole-1,3-dione
CID 123786237
2-[2-(4-benzhydrylpiperazin-1-yl)ethyl]isoindole-1,3-dione
CID 14295610
2-[1-(4-bromophenyl)-2-oxo-4-phenylazetidin-3-yl]isoindole-1,3-dione
CID 2855122
2-benzhydryl-4,4-dicyclopropyloxazetidin-3-one
CID 14787845
1-benzhydrylazetidine-2-carbaldehyde
CID 12717145

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,3S)-1-benzhydryl-2-phenylpiperidin-3-yl]isoindole-1,3-dione?
The IUPAC name of 2-[(2S,3S)-1-benzhydryl-2-phenylpiperidin-3-yl]isoindole-1,3-dione (CID 132529028) is 2-[(2S,3S)-1-benzhydryl-2-phenylpiperidin-3-yl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(2S,3S)-1-benzhydryl-2-phenylpiperidin-3-yl]isoindole-1,3-dione?
The canonical SMILES for 2-[(2S,3S)-1-benzhydryl-2-phenylpiperidin-3-yl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1[C@H]1CCCN(C(c2ccccc2)c2ccccc2)[C@H]1c1ccccc1.
What is the InChIKey of 2-[(2S,3S)-1-benzhydryl-2-phenylpiperidin-3-yl]isoindole-1,3-dione?
The InChIKey is RAPVCXPZXLMKGV-JDXGNMNLSA-N. The full InChI is InChI=1S/C32H28N2O2/c35-31-26-19-10-11-20-27(26)32(36)34(31)28-21-12-22-33(30(28)25-17-8-3-9-18-25)29(23-13-4-1-5-14-23)24-15-6-2-7-16-24/h1-11,13-20,28-30H,12,21-22H2/t28-,30-/m0/s1.
What are the key properties of 2-[(2S,3S)-1-benzhydryl-2-phenylpiperidin-3-yl]isoindole-1,3-dione?
2-[(2S,3S)-1-benzhydryl-2-phenylpiperidin-3-yl]isoindole-1,3-dione has a molecular weight of 472.59 g/mol, XLogP of 6.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,3S)-1-benzhydryl-2-phenylpiperidin-3-yl]isoindole-1,3-dione is sourced from PubChem (CID 132529028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).