1-(4-hydroxyphenyl)-3-(4-methylpiperidin-1-yl)pyrrolidine-2,5-dione

C16H20N2O3 — CID 43826833

IUPAC1-(4-hydroxyphenyl)-3-(4-methylpiperidin-1-yl)pyrrolidine-2,5-dione
SMILESCC1CCN(C2CC(=O)N(c3ccc(O)cc3)C2=O)CC1
InChIInChI=1S/C16H20N2O3/c1-11-6-8-17(9-7-11)14-10-15(20)18(16(14)21)12-2-4-13(19)5-3-12/h2-5,11,14,19H,6-10H2,1H3
InChIKeyZQGIDHIKRNNKFP-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.76
Rot. Bonds2

About 1-(4-hydroxyphenyl)-3-(4-methylpiperidin-1-yl)pyrrolidine-2,5-dione

1-(4-hydroxyphenyl)-3-(4-methylpiperidin-1-yl)pyrrolidine-2,5-dione (PubChem CID 43826833) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-(4-hydroxyphenyl)-3-(4-methylpiperidin-1-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(4-hydroxyphenyl)-3-(4-methylpiperidin-1-yl)pyrrolidine-2,5-dione
PubChem CID43826833
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name1-(4-hydroxyphenyl)-3-(4-methylpiperidin-1-yl)pyrrolidine-2,5-dione
SMILESCC1CCN(C2CC(=O)N(c3ccc(O)cc3)C2=O)CC1
InChIInChI=1S/C16H20N2O3/c1-11-6-8-17(9-7-11)14-10-15(20)18(16(14)21)12-2-4-13(19)5-3-12/h2-5,11,14,19H,6-10H2,1H3
InChIKeyZQGIDHIKRNNKFP-UHFFFAOYSA-N
XLogP1.76
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.76
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

(3S)-1-(4-bromophenyl)-3-(4-methylpiperidin-1-yl)pyrrolidine-2,5-dione
CID 1034992
(3R)-1-(4-fluorophenyl)-3-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]pyrrolidine-2,5-dione
CID 7332701
(3S)-1-(1,3-benzodioxol-5-yl)-3-(4-methylpiperidin-1-yl)pyrrolidine-2,5-dione
CID 27523171
tert-butyl 4-[(3S)-1-(4-hydroxyphenyl)-2,5-dioxopyrrolidin-3-yl]piperazine-1-carboxylate
CID 7456166
3-(3-methylpiperidin-1-yl)-1-[4-[3-(3-methylpiperidin-1-yl)-2,5-dioxopyrrolidin-1-yl]phenyl]pyrrolidine-2,5-dione
CID 4144237
(3R)-3-(4-hydroxypiperidin-1-yl)-1-(4-iodophenyl)pyrrolidine-2,5-dione
CID 1242406
3-(4-hydroxypiperidin-1-yl)-1-(4-iodophenyl)pyrrolidine-2,5-dione
CID 2882408
1-[(3R)-1-(4-carboxyphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylic acid
CID 871176
(3S)-1-(4-ethoxyphenyl)-3-(4-hydroxypiperidin-1-yl)pyrrolidine-2,5-dione
CID 755238
(3S)-1-(4-methoxyphenyl)-3-[4-[(3S)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 1070802
1-[(3S)-1-(4-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxamide
CID 683089
methyl 1-[(3R)-1-(4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylate
CID 1221433

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxyphenyl)-3-(4-methylpiperidin-1-yl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(4-hydroxyphenyl)-3-(4-methylpiperidin-1-yl)pyrrolidine-2,5-dione (CID 43826833) is 1-(4-hydroxyphenyl)-3-(4-methylpiperidin-1-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(4-hydroxyphenyl)-3-(4-methylpiperidin-1-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(4-hydroxyphenyl)-3-(4-methylpiperidin-1-yl)pyrrolidine-2,5-dione is CC1CCN(C2CC(=O)N(c3ccc(O)cc3)C2=O)CC1.
What is the InChIKey of 1-(4-hydroxyphenyl)-3-(4-methylpiperidin-1-yl)pyrrolidine-2,5-dione?
The InChIKey is ZQGIDHIKRNNKFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-11-6-8-17(9-7-11)14-10-15(20)18(16(14)21)12-2-4-13(19)5-3-12/h2-5,11,14,19H,6-10H2,1H3.
What are the key properties of 1-(4-hydroxyphenyl)-3-(4-methylpiperidin-1-yl)pyrrolidine-2,5-dione?
1-(4-hydroxyphenyl)-3-(4-methylpiperidin-1-yl)pyrrolidine-2,5-dione has a molecular weight of 288.35 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxyphenyl)-3-(4-methylpiperidin-1-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 43826833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).