3-[4-(2,6-dioxopiperidin-3-yl)phenyl]propanal

C14H15NO3 — CID 171098619

IUPAC3-[4-(2,6-dioxopiperidin-3-yl)phenyl]propanal
SMILESO=CCCc1ccc(C2CCC(=O)NC2=O)cc1
InChIInChI=1S/C14H15NO3/c16-9-1-2-10-3-5-11(6-4-10)12-7-8-13(17)15-14(12)18/h3-6,9,12H,1-2,7-8H2,(H,15,17,18)
InChIKeyPGUNIQZJRCCAAE-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.34
Rot. Bonds4

About 3-[4-(2,6-dioxopiperidin-3-yl)phenyl]propanal

3-[4-(2,6-dioxopiperidin-3-yl)phenyl]propanal (PubChem CID 171098619) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 3-[4-(2,6-dioxopiperidin-3-yl)phenyl]propanal.

Molecular Properties

Compound Name3-[4-(2,6-dioxopiperidin-3-yl)phenyl]propanal
PubChem CID171098619
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name3-[4-(2,6-dioxopiperidin-3-yl)phenyl]propanal
SMILESO=CCCc1ccc(C2CCC(=O)NC2=O)cc1
InChIInChI=1S/C14H15NO3/c16-9-1-2-10-3-5-11(6-4-10)12-7-8-13(17)15-14(12)18/h3-6,9,12H,1-2,7-8H2,(H,15,17,18)
InChIKeyPGUNIQZJRCCAAE-UHFFFAOYSA-N
XLogP1.34
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[4-[2-(4-oxocyclohexyl)ethyl]phenyl]piperidine-2,6-dione
CID 170325130
(3S)-3-(4-methylphenyl)piperidine-2,6-dione
CID 94766924
3-(4-aminophenyl)piperidine-2,6-dione;ethane
CID 177052461
2-[4-[4-(2,6-dioxopiperidin-3-yl)phenyl]piperazin-1-yl]acetaldehyde;dihydrochloride
CID 171820884
3-[4-(3-oxocyclopentyl)phenyl]piperidine-2,6-dione
CID 166947876
3-[4-[2-[1-(cyclohexylmethyl)piperidin-4-yl]ethyl]phenyl]piperidine-2,6-dione
CID 171406546
3-[4-[2-[4-(4-aminocyclohexyl)piperazin-1-yl]ethyl]phenyl]piperidine-2,6-dione
CID 171652178
2-[1-[2-chloro-4-[(3S)-2,6-dioxopiperidin-3-yl]phenyl]piperidin-4-yl]acetaldehyde
CID 170325245
3-[4-(azetidin-3-ylmethylamino)phenyl]piperidine-2,6-dione
CID 178015429
3-[4-(5-hydroxypentoxy)phenyl]piperidine-2,6-dione
CID 172584861
3-(4-hexoxyphenyl)piperidine-2,6-dione
CID 172584857
actinium;ethane;3-phenylpiperidine-2,6-dione
CID 176713494

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,6-dioxopiperidin-3-yl)phenyl]propanal?
The IUPAC name of 3-[4-(2,6-dioxopiperidin-3-yl)phenyl]propanal (CID 171098619) is 3-[4-(2,6-dioxopiperidin-3-yl)phenyl]propanal.
What is the SMILES notation for 3-[4-(2,6-dioxopiperidin-3-yl)phenyl]propanal?
The canonical SMILES for 3-[4-(2,6-dioxopiperidin-3-yl)phenyl]propanal is O=CCCc1ccc(C2CCC(=O)NC2=O)cc1.
What is the InChIKey of 3-[4-(2,6-dioxopiperidin-3-yl)phenyl]propanal?
The InChIKey is PGUNIQZJRCCAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c16-9-1-2-10-3-5-11(6-4-10)12-7-8-13(17)15-14(12)18/h3-6,9,12H,1-2,7-8H2,(H,15,17,18).
What are the key properties of 3-[4-(2,6-dioxopiperidin-3-yl)phenyl]propanal?
3-[4-(2,6-dioxopiperidin-3-yl)phenyl]propanal has a molecular weight of 245.28 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,6-dioxopiperidin-3-yl)phenyl]propanal is sourced from PubChem (CID 171098619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).