3-(4-hexoxyphenyl)piperidine-2,6-dione

C17H23NO3 — CID 172584857

IUPAC3-(4-hexoxyphenyl)piperidine-2,6-dione
SMILESCCCCCCOc1ccc(C2CCC(=O)NC2=O)cc1
InChIInChI=1S/C17H23NO3/c1-2-3-4-5-12-21-14-8-6-13(7-9-14)15-10-11-16(19)18-17(15)20/h6-9,15H,2-5,10-12H2,1H3,(H,18,19,20)
InChIKeyJAAYWVACKYCUSZ-UHFFFAOYSA-N
MW289.37 g/mol
LogP3.17
Rot. Bonds7

About 3-(4-hexoxyphenyl)piperidine-2,6-dione

3-(4-hexoxyphenyl)piperidine-2,6-dione (PubChem CID 172584857) has the molecular formula C17H23NO3 and a molecular weight of 289.37 g/mol. Its IUPAC name is 3-(4-hexoxyphenyl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(4-hexoxyphenyl)piperidine-2,6-dione
PubChem CID172584857
Molecular FormulaC17H23NO3
Molecular Weight289.37 g/mol
Exact Mass289.17
IUPAC Name3-(4-hexoxyphenyl)piperidine-2,6-dione
SMILESCCCCCCOc1ccc(C2CCC(=O)NC2=O)cc1
InChIInChI=1S/C17H23NO3/c1-2-3-4-5-12-21-14-8-6-13(7-9-14)15-10-11-16(19)18-17(15)20/h6-9,15H,2-5,10-12H2,1H3,(H,18,19,20)
InChIKeyJAAYWVACKYCUSZ-UHFFFAOYSA-N
XLogP3.17
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(5-hydroxypentoxy)phenyl]piperidine-2,6-dione
CID 172584861
3-[4-[4-[4-(2,5-dioxopyrrolidin-3-yl)phenoxy]butoxy]phenyl]pyrrolidine-2,5-dione
CID 3071135
4-(4-heptoxyphenyl)cyclohexan-1-one
CID 71477093
5-methyl-2-[4-(4-nonoxyphenyl)phenyl]cyclohexan-1-one
CID 23041333
3-[4-[[4-[(4-phenoxybutylamino)methyl]phenyl]methoxy]phenyl]piperidine-2,6-dione
CID 167478600
(3R)-3-(4-heptoxyphenyl)-1-methylpyrrolidine-2,5-dione
CID 98117431
(3S)-3-(4-methylphenyl)piperidine-2,6-dione
CID 94766924
5-ethyl-2-[4-(4-hexoxyphenyl)phenyl]cyclohexan-1-one
CID 23041220
2-[2-[4-(2,6-dioxopiperidin-3-yl)phenoxy]ethoxy]ethyl 4-methylbenzenesulfonate
CID 174340432
3-(4-aminophenyl)piperidine-2,6-dione;ethane
CID 177052461
trans-(2R,5S)-2-[4-(4-hexoxyphenyl)phenyl]-5-propylcyclohexan-1-one
CID 70371331
trans-(2R,5S)-5-butyl-2-[4-(4-heptoxyphenyl)phenyl]cyclohexan-1-one
CID 70371409

Frequently Asked Questions

What is the IUPAC name of 3-(4-hexoxyphenyl)piperidine-2,6-dione?
The IUPAC name of 3-(4-hexoxyphenyl)piperidine-2,6-dione (CID 172584857) is 3-(4-hexoxyphenyl)piperidine-2,6-dione.
What is the SMILES notation for 3-(4-hexoxyphenyl)piperidine-2,6-dione?
The canonical SMILES for 3-(4-hexoxyphenyl)piperidine-2,6-dione is CCCCCCOc1ccc(C2CCC(=O)NC2=O)cc1.
What is the InChIKey of 3-(4-hexoxyphenyl)piperidine-2,6-dione?
The InChIKey is JAAYWVACKYCUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-2-3-4-5-12-21-14-8-6-13(7-9-14)15-10-11-16(19)18-17(15)20/h6-9,15H,2-5,10-12H2,1H3,(H,18,19,20).
What are the key properties of 3-(4-hexoxyphenyl)piperidine-2,6-dione?
3-(4-hexoxyphenyl)piperidine-2,6-dione has a molecular weight of 289.37 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hexoxyphenyl)piperidine-2,6-dione is sourced from PubChem (CID 172584857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).