3-[3-oxo-6-[1-(1-phenylcyclohexyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-isoindol-2-yl]piperidine-2,6-dione

C30H33N3O3 — CID 177017772

IUPAC3-[3-oxo-6-[1-(1-phenylcyclohexyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3cc(C4=CCN(C5(c6ccccc6)CCCCC5)CC4)ccc3C2=O)C(=O)N1
InChIInChI=1S/C30H33N3O3/c34-27-12-11-26(28(35)31-27)33-20-23-19-22(9-10-25(23)29(33)36)21-13-17-32(18-14-21)30(15-5-2-6-16-30)24-7-3-1-4-8-24/h1,3-4,7-10,13,19,26H,2,5-6,11-12,14-18,20H2,(H,31,34,35)
InChIKeyXFDKDCRUVMHRHG-UHFFFAOYSA-N
MW483.61 g/mol
LogP4.40
Rot. Bonds4

About 3-[3-oxo-6-[1-(1-phenylcyclohexyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-isoindol-2-yl]piperidine-2,6-dione

3-[3-oxo-6-[1-(1-phenylcyclohexyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 177017772) has the molecular formula C30H33N3O3 and a molecular weight of 483.61 g/mol. Its IUPAC name is 3-[3-oxo-6-[1-(1-phenylcyclohexyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[3-oxo-6-[1-(1-phenylcyclohexyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID177017772
Molecular FormulaC30H33N3O3
Molecular Weight483.61 g/mol
Exact Mass483.25
IUPAC Name3-[3-oxo-6-[1-(1-phenylcyclohexyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3cc(C4=CCN(C5(c6ccccc6)CCCCC5)CC4)ccc3C2=O)C(=O)N1
InChIInChI=1S/C30H33N3O3/c34-27-12-11-26(28(35)31-27)33-20-23-19-22(9-10-25(23)29(33)36)21-13-17-32(18-14-21)30(15-5-2-6-16-30)24-7-3-1-4-8-24/h1,3-4,7-10,13,19,26H,2,5-6,11-12,14-18,20H2,(H,31,34,35)
InChIKeyXFDKDCRUVMHRHG-UHFFFAOYSA-N
XLogP4.40
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.61
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[6-(2-methylphenyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167767771
2-tert-butyl-4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 138562678
3-[3-oxo-6-(5-phenyl-1,2-oxazol-4-yl)-1H-isoindol-2-yl]piperidine-2,6-dione
CID 171075864
2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]isoindole-1,3-dione
CID 170628916
3-(3-oxo-6-pyrrolidin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione
CID 166947626
3-[3-oxo-6-(3-phenyltriazol-4-yl)-1H-isoindol-2-yl]piperidine-2,6-dione
CID 171577675
3-[3-oxo-6-(4-phenyl-1,3-oxazol-2-yl)-1H-isoindol-2-yl]piperidine-2,6-dione
CID 171075164
3-(6-hydroxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 71517902
3-(6-isoquinolin-4-yl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 167832472
methylazanium;3-(3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 155746155
3-(6-isocyano-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 140797643
3-[6-(2-ethyl-1,2,4-triazol-3-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167762203

Frequently Asked Questions

What is the IUPAC name of 3-[3-oxo-6-[1-(1-phenylcyclohexyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[3-oxo-6-[1-(1-phenylcyclohexyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-isoindol-2-yl]piperidine-2,6-dione (CID 177017772) is 3-[3-oxo-6-[1-(1-phenylcyclohexyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[3-oxo-6-[1-(1-phenylcyclohexyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[3-oxo-6-[1-(1-phenylcyclohexyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-isoindol-2-yl]piperidine-2,6-dione is O=C1CCC(N2Cc3cc(C4=CCN(C5(c6ccccc6)CCCCC5)CC4)ccc3C2=O)C(=O)N1.
What is the InChIKey of 3-[3-oxo-6-[1-(1-phenylcyclohexyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is XFDKDCRUVMHRHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N3O3/c34-27-12-11-26(28(35)31-27)33-20-23-19-22(9-10-25(23)29(33)36)21-13-17-32(18-14-21)30(15-5-2-6-16-30)24-7-3-1-4-8-24/h1,3-4,7-10,13,19,26H,2,5-6,11-12,14-18,20H2,(H,31,34,35).
What are the key properties of 3-[3-oxo-6-[1-(1-phenylcyclohexyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[3-oxo-6-[1-(1-phenylcyclohexyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 483.61 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-oxo-6-[1-(1-phenylcyclohexyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 177017772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).