2-(2-piperidin-4-yloxyethyl)isoindole-1,3-dione

C15H18N2O3 — CID 63870873

IUPAC2-(2-piperidin-4-yloxyethyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCOC1CCNCC1
InChIInChI=1S/C15H18N2O3/c18-14-12-3-1-2-4-13(12)15(19)17(14)9-10-20-11-5-7-16-8-6-11/h1-4,11,16H,5-10H2
InChIKeyOKVKAYDNXUAVFQ-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.05
Rot. Bonds4

About 2-(2-piperidin-4-yloxyethyl)isoindole-1,3-dione

2-(2-piperidin-4-yloxyethyl)isoindole-1,3-dione (PubChem CID 63870873) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-(2-piperidin-4-yloxyethyl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2-piperidin-4-yloxyethyl)isoindole-1,3-dione
PubChem CID63870873
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name2-(2-piperidin-4-yloxyethyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCOC1CCNCC1
InChIInChI=1S/C15H18N2O3/c18-14-12-3-1-2-4-13(12)15(19)17(14)9-10-20-11-5-7-16-8-6-11/h1-4,11,16H,5-10H2
InChIKeyOKVKAYDNXUAVFQ-UHFFFAOYSA-N
XLogP1.05
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.05
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-methylidene-2-(2-piperidin-4-yloxyethyl)isoindol-1-one
CID 63870034
3-(2-piperidin-4-yloxyethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 55251421
2-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)ethyl]isoindole-1,3-dione
CID 23964124
2-[2-[methyl(piperidin-4-yl)amino]ethyl]isoindole-1,3-dione
CID 43607537
4-(2-piperidin-4-yloxyethyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 63869527
2-[(3R)-3-piperidin-4-ylbutyl]isoindole-1,3-dione
CID 70929216
4,4-dimethyl-1-(2-piperidin-4-yloxyethyl)piperidine-2,6-dione
CID 63870542
2-(2-piperidin-4-yloxyethyl)-1,2-benzothiazol-3-one
CID 81435043
2-[2-[2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]isoindole-1,3-dione
CID 12692562
5-amino-2-(2-cyclohexyloxyethyl)isoindole-1,3-dione
CID 63827887
2-(2-hydroperoxyethyl)isoindole-1,3-dione
CID 144780934
tert-butyl 4-[2-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]ethoxy]piperidine-1-carboxylate
CID 139579331

Frequently Asked Questions

What is the IUPAC name of 2-(2-piperidin-4-yloxyethyl)isoindole-1,3-dione?
The IUPAC name of 2-(2-piperidin-4-yloxyethyl)isoindole-1,3-dione (CID 63870873) is 2-(2-piperidin-4-yloxyethyl)isoindole-1,3-dione.
What is the SMILES notation for 2-(2-piperidin-4-yloxyethyl)isoindole-1,3-dione?
The canonical SMILES for 2-(2-piperidin-4-yloxyethyl)isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CCOC1CCNCC1.
What is the InChIKey of 2-(2-piperidin-4-yloxyethyl)isoindole-1,3-dione?
The InChIKey is OKVKAYDNXUAVFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c18-14-12-3-1-2-4-13(12)15(19)17(14)9-10-20-11-5-7-16-8-6-11/h1-4,11,16H,5-10H2.
What are the key properties of 2-(2-piperidin-4-yloxyethyl)isoindole-1,3-dione?
2-(2-piperidin-4-yloxyethyl)isoindole-1,3-dione has a molecular weight of 274.32 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-piperidin-4-yloxyethyl)isoindole-1,3-dione is sourced from PubChem (CID 63870873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).