3-[4-(5-hydroxypentoxy)phenyl]piperidine-2,6-dione

C16H21NO4 — CID 172584861

IUPAC3-[4-(5-hydroxypentoxy)phenyl]piperidine-2,6-dione
SMILESO=C1CCC(c2ccc(OCCCCCO)cc2)C(=O)N1
InChIInChI=1S/C16H21NO4/c18-10-2-1-3-11-21-13-6-4-12(5-7-13)14-8-9-15(19)17-16(14)20/h4-7,14,18H,1-3,8-11H2,(H,17,19,20)
InChIKeyZKIVMAGHQWWWTL-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.75
Rot. Bonds7

About 3-[4-(5-hydroxypentoxy)phenyl]piperidine-2,6-dione

3-[4-(5-hydroxypentoxy)phenyl]piperidine-2,6-dione (PubChem CID 172584861) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is 3-[4-(5-hydroxypentoxy)phenyl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[4-(5-hydroxypentoxy)phenyl]piperidine-2,6-dione
PubChem CID172584861
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name3-[4-(5-hydroxypentoxy)phenyl]piperidine-2,6-dione
SMILESO=C1CCC(c2ccc(OCCCCCO)cc2)C(=O)N1
InChIInChI=1S/C16H21NO4/c18-10-2-1-3-11-21-13-6-4-12(5-7-13)14-8-9-15(19)17-16(14)20/h4-7,14,18H,1-3,8-11H2,(H,17,19,20)
InChIKeyZKIVMAGHQWWWTL-UHFFFAOYSA-N
XLogP1.75
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-hexoxyphenyl)piperidine-2,6-dione
CID 172584857
3-[4-[4-[4-(2,5-dioxopyrrolidin-3-yl)phenoxy]butoxy]phenyl]pyrrolidine-2,5-dione
CID 3071135
3-[4-[[4-[(4-phenoxybutylamino)methyl]phenyl]methoxy]phenyl]piperidine-2,6-dione
CID 167478600
3-[3-(4-aminobutoxy)phenyl]piperidine-2,6-dione
CID 164540943
(3S)-3-(4-methylphenyl)piperidine-2,6-dione
CID 94766924
2-[2-[4-(2,6-dioxopiperidin-3-yl)phenoxy]ethoxy]ethyl 4-methylbenzenesulfonate
CID 174340432
3-[4-(3-oxocyclopentyl)phenyl]piperidine-2,6-dione
CID 166947876
3-(4-aminophenyl)piperidine-2,6-dione;ethane
CID 177052461
4-(4-piperidin-4-ylphenoxy)butan-1-ol
CID 143066342
3-[4-(2,6-dioxopiperidin-3-yl)phenyl]propanal
CID 171098619
3-[3-fluoro-4-(hydroxymethyl)phenyl]piperidine-2,6-dione
CID 167463182
3-[4-[2-(4-oxocyclohexyl)ethyl]phenyl]piperidine-2,6-dione
CID 170325130

Frequently Asked Questions

What is the IUPAC name of 3-[4-(5-hydroxypentoxy)phenyl]piperidine-2,6-dione?
The IUPAC name of 3-[4-(5-hydroxypentoxy)phenyl]piperidine-2,6-dione (CID 172584861) is 3-[4-(5-hydroxypentoxy)phenyl]piperidine-2,6-dione.
What is the SMILES notation for 3-[4-(5-hydroxypentoxy)phenyl]piperidine-2,6-dione?
The canonical SMILES for 3-[4-(5-hydroxypentoxy)phenyl]piperidine-2,6-dione is O=C1CCC(c2ccc(OCCCCCO)cc2)C(=O)N1.
What is the InChIKey of 3-[4-(5-hydroxypentoxy)phenyl]piperidine-2,6-dione?
The InChIKey is ZKIVMAGHQWWWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c18-10-2-1-3-11-21-13-6-4-12(5-7-13)14-8-9-15(19)17-16(14)20/h4-7,14,18H,1-3,8-11H2,(H,17,19,20).
What are the key properties of 3-[4-(5-hydroxypentoxy)phenyl]piperidine-2,6-dione?
3-[4-(5-hydroxypentoxy)phenyl]piperidine-2,6-dione has a molecular weight of 291.35 g/mol, XLogP of 1.75, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(5-hydroxypentoxy)phenyl]piperidine-2,6-dione is sourced from PubChem (CID 172584861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).