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

C27H31N3O4 — CID 166468834

IUPAC3-(6-cyclopentyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-phenylazetidine
SMILESO=C1CCC(N2Cc3cc(OC4CCCC4)ccc3C2=O)C(=O)N1.c1ccc(C2CNC2)cc1
InChIInChI=1S/C18H20N2O4.C9H11N/c21-16-8-7-15(17(22)19-16)20-10-11-9-13(5-6-14(11)18(20)23)24-12-3-1-2-4-12;1-2-4-8(5-3-1)9-6-10-7-9/h5-6,9,12,15H,1-4,7-8,10H2,(H,19,21,22);1-5,9-10H,6-7H2
InChIKeySLIUOCPGYGSDSU-UHFFFAOYSA-N
MW461.56 g/mol
LogP3.14
Rot. Bonds4

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

3-(6-cyclopentyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-phenylazetidine (PubChem CID 166468834) has the molecular formula C27H31N3O4 and a molecular weight of 461.56 g/mol. Its IUPAC name is 3-(6-cyclopentyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-phenylazetidine.

Molecular Properties

Compound Name3-(6-cyclopentyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-phenylazetidine
PubChem CID166468834
Molecular FormulaC27H31N3O4
Molecular Weight461.56 g/mol
Exact Mass461.23
IUPAC Name3-(6-cyclopentyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-phenylazetidine
SMILESO=C1CCC(N2Cc3cc(OC4CCCC4)ccc3C2=O)C(=O)N1.c1ccc(C2CNC2)cc1
InChIInChI=1S/C18H20N2O4.C9H11N/c21-16-8-7-15(17(22)19-16)20-10-11-9-13(5-6-14(11)18(20)23)24-12-3-1-2-4-12;1-2-4-8(5-3-1)9-6-10-7-9/h5-6,9,12,15H,1-4,7-8,10H2,(H,19,21,22);1-5,9-10H,6-7H2
InChIKeySLIUOCPGYGSDSU-UHFFFAOYSA-N
XLogP3.14
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.56
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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

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Launch Full Analysis

Related Compounds

3-(6-cyclohexyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-phenylazetidine
CID 166469154
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;3-[4-(difluoromethoxy)phenyl]azetidine
CID 166469240
3-(6-cyclopentyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;ethane
CID 153391942
3-(6-cyclohexyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;ethane
CID 153391960
3-[6-(azepan-3-yloxy)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 175487584
3-(3-oxo-6-piperidin-4-yloxy-1H-isoindol-2-yl)piperidine-2,6-dione
CID 134413864
3-[3-oxo-6-[(1S,2R)-2-(3-phenylazetidin-1-yl)cyclopentyl]oxy-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167307189
3-[3-oxo-6-[(1R,2R)-2-(4-phenylpiperidin-1-yl)cyclopentyl]oxy-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167306989
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

Frequently Asked Questions

What is the IUPAC name of 3-(6-cyclopentyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-phenylazetidine?
The IUPAC name of 3-(6-cyclopentyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-phenylazetidine (CID 166468834) is 3-(6-cyclopentyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-phenylazetidine.
What is the SMILES notation for 3-(6-cyclopentyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-phenylazetidine?
The canonical SMILES for 3-(6-cyclopentyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-phenylazetidine is O=C1CCC(N2Cc3cc(OC4CCCC4)ccc3C2=O)C(=O)N1.c1ccc(C2CNC2)cc1.
What is the InChIKey of 3-(6-cyclopentyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-phenylazetidine?
The InChIKey is SLIUOCPGYGSDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4.C9H11N/c21-16-8-7-15(17(22)19-16)20-10-11-9-13(5-6-14(11)18(20)23)24-12-3-1-2-4-12;1-2-4-8(5-3-1)9-6-10-7-9/h5-6,9,12,15H,1-4,7-8,10H2,(H,19,21,22);1-5,9-10H,6-7H2.
What are the key properties of 3-(6-cyclopentyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-phenylazetidine?
3-(6-cyclopentyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-phenylazetidine has a molecular weight of 461.56 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-cyclopentyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-phenylazetidine is sourced from PubChem (CID 166468834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).