3-(6-cyclohexyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-phenylazetidine

C28H33N3O4 — CID 166469154

IUPAC3-(6-cyclohexyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-phenylazetidine
SMILESO=C1CCC(N2Cc3cc(OC4CCCCC4)ccc3C2=O)C(=O)N1.c1ccc(C2CNC2)cc1
InChIInChI=1S/C19H22N2O4.C9H11N/c22-17-9-8-16(18(23)20-17)21-11-12-10-14(6-7-15(12)19(21)24)25-13-4-2-1-3-5-13;1-2-4-8(5-3-1)9-6-10-7-9/h6-7,10,13,16H,1-5,8-9,11H2,(H,20,22,23);1-5,9-10H,6-7H2
InChIKeyMEUVICOUISGCQT-UHFFFAOYSA-N
MW475.59 g/mol
LogP3.53
Rot. Bonds4

About 3-(6-cyclohexyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-phenylazetidine

3-(6-cyclohexyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-phenylazetidine (PubChem CID 166469154) has the molecular formula C28H33N3O4 and a molecular weight of 475.59 g/mol. Its IUPAC name is 3-(6-cyclohexyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-phenylazetidine.

Molecular Properties

Compound Name3-(6-cyclohexyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-phenylazetidine
PubChem CID166469154
Molecular FormulaC28H33N3O4
Molecular Weight475.59 g/mol
Exact Mass475.25
IUPAC Name3-(6-cyclohexyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-phenylazetidine
SMILESO=C1CCC(N2Cc3cc(OC4CCCCC4)ccc3C2=O)C(=O)N1.c1ccc(C2CNC2)cc1
InChIInChI=1S/C19H22N2O4.C9H11N/c22-17-9-8-16(18(23)20-17)21-11-12-10-14(6-7-15(12)19(21)24)25-13-4-2-1-3-5-13;1-2-4-8(5-3-1)9-6-10-7-9/h6-7,10,13,16H,1-5,8-9,11H2,(H,20,22,23);1-5,9-10H,6-7H2
InChIKeyMEUVICOUISGCQT-UHFFFAOYSA-N
XLogP3.53
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.59
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(6-cyclohexyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-phenylazetidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(6-cyclopentyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-phenylazetidine
CID 166468834
3-(6-cyclohexyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-[4-(difluoromethoxy)phenyl]azetidine
CID 166469240
3-(6-cyclopentyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 146300156
3-(6-cyclohexyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;ethane
CID 153391960
3-(6-cyclopentyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;ethane
CID 153391942
3-[6-(azepan-3-yloxy)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 175487584
4-(azetidin-3-yl)-3-chloropyridine;3-(6-cyclohexyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 166469282
4-(azetidin-3-yl)morpholine;3-(6-cyclohexyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 166469948
3-(6-cyclohexyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-(4-ethoxycyclohexyl)azetidine
CID 166470125
3-(3-oxo-6-piperidin-4-yloxy-1H-isoindol-2-yl)piperidine-2,6-dione
CID 134413864
3-(7-chloro-6-cyclohexyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-phenylazetidine
CID 166469246
3-[3-oxo-6-[(1S,2R)-2-(3-phenylazetidin-1-yl)cyclopentyl]oxy-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167307189

Frequently Asked Questions

What is the IUPAC name of 3-(6-cyclohexyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-phenylazetidine?
The IUPAC name of 3-(6-cyclohexyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-phenylazetidine (CID 166469154) is 3-(6-cyclohexyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-phenylazetidine.
What is the SMILES notation for 3-(6-cyclohexyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-phenylazetidine?
The canonical SMILES for 3-(6-cyclohexyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-phenylazetidine is O=C1CCC(N2Cc3cc(OC4CCCCC4)ccc3C2=O)C(=O)N1.c1ccc(C2CNC2)cc1.
What is the InChIKey of 3-(6-cyclohexyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-phenylazetidine?
The InChIKey is MEUVICOUISGCQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4.C9H11N/c22-17-9-8-16(18(23)20-17)21-11-12-10-14(6-7-15(12)19(21)24)25-13-4-2-1-3-5-13;1-2-4-8(5-3-1)9-6-10-7-9/h6-7,10,13,16H,1-5,8-9,11H2,(H,20,22,23);1-5,9-10H,6-7H2.
What are the key properties of 3-(6-cyclohexyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-phenylazetidine?
3-(6-cyclohexyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-phenylazetidine has a molecular weight of 475.59 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-cyclohexyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-phenylazetidine is sourced from PubChem (CID 166469154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).