3-[4-(morpholine-4-carbonyl)piperidin-1-yl]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione

C23H31N3O5 — CID 2853851

IUPAC3-[4-(morpholine-4-carbonyl)piperidin-1-yl]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
SMILESCCCOc1ccc(N2C(=O)CC(N3CCC(C(=O)N4CCOCC4)CC3)C2=O)cc1
InChIInChI=1S/C23H31N3O5/c1-2-13-31-19-5-3-18(4-6-19)26-21(27)16-20(23(26)29)24-9-7-17(8-10-24)22(28)25-11-14-30-15-12-25/h3-6,17,20H,2,7-16H2,1H3
InChIKeyTUMHKKYOEKRNHW-UHFFFAOYSA-N
MW429.52 g/mol
LogP1.68
Rot. Bonds6

About 3-[4-(morpholine-4-carbonyl)piperidin-1-yl]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione

3-[4-(morpholine-4-carbonyl)piperidin-1-yl]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione (PubChem CID 2853851) has the molecular formula C23H31N3O5 and a molecular weight of 429.52 g/mol. Its IUPAC name is 3-[4-(morpholine-4-carbonyl)piperidin-1-yl]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[4-(morpholine-4-carbonyl)piperidin-1-yl]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
PubChem CID2853851
Molecular FormulaC23H31N3O5
Molecular Weight429.52 g/mol
Exact Mass429.23
IUPAC Name3-[4-(morpholine-4-carbonyl)piperidin-1-yl]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
SMILESCCCOc1ccc(N2C(=O)CC(N3CCC(C(=O)N4CCOCC4)CC3)C2=O)cc1
InChIInChI=1S/C23H31N3O5/c1-2-13-31-19-5-3-18(4-6-19)26-21(27)16-20(23(26)29)24-9-7-17(8-10-24)22(28)25-11-14-30-15-12-25/h3-6,17,20H,2,7-16H2,1H3
InChIKeyTUMHKKYOEKRNHW-UHFFFAOYSA-N
XLogP1.68
TPSA79.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-[4-[(3R)-2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]piperazin-1-yl]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
CID 7986469
ethyl 4-[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]piperazine-1-carboxylate
CID 2858062
[4-[(3R)-3-morpholin-4-yl-2,5-dioxopyrrolidin-1-yl]phenyl] acetate
CID 1376662
(3S)-1-(4-ethoxyphenyl)-3-(4-hydroxypiperidin-1-yl)pyrrolidine-2,5-dione
CID 755238
(3R)-3-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
CID 7319242
1-(4-butoxyphenyl)-3-(4-methylpiperazin-1-yl)pyrrolidine-2,5-dione
CID 2869017
1-(4-hexoxyphenyl)-3-(4-methoxypiperidin-1-yl)pyrrolidine-2,5-dione
CID 5298896
(3R)-1-(4-fluorophenyl)-3-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]pyrrolidine-2,5-dione
CID 7332701
3-[4-(1,3-benzodioxol-5-yl)piperazin-1-yl]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
CID 2857585
(3S)-3-[4-(2-fluoroanilino)piperidin-1-yl]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
CID 7348201
1-(4-methoxyphenyl)-3-morpholin-4-ylpyrrolidine-2,5-dione
CID 2732615
(3S)-1-(4-butoxyphenyl)-3-(4-ethylpiperazin-1-yl)pyrrolidine-2,5-dione
CID 2273431

Frequently Asked Questions

What is the IUPAC name of 3-[4-(morpholine-4-carbonyl)piperidin-1-yl]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-[4-(morpholine-4-carbonyl)piperidin-1-yl]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione (CID 2853851) is 3-[4-(morpholine-4-carbonyl)piperidin-1-yl]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[4-(morpholine-4-carbonyl)piperidin-1-yl]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-[4-(morpholine-4-carbonyl)piperidin-1-yl]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione is CCCOc1ccc(N2C(=O)CC(N3CCC(C(=O)N4CCOCC4)CC3)C2=O)cc1.
What is the InChIKey of 3-[4-(morpholine-4-carbonyl)piperidin-1-yl]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione?
The InChIKey is TUMHKKYOEKRNHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O5/c1-2-13-31-19-5-3-18(4-6-19)26-21(27)16-20(23(26)29)24-9-7-17(8-10-24)22(28)25-11-14-30-15-12-25/h3-6,17,20H,2,7-16H2,1H3.
What are the key properties of 3-[4-(morpholine-4-carbonyl)piperidin-1-yl]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione?
3-[4-(morpholine-4-carbonyl)piperidin-1-yl]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione has a molecular weight of 429.52 g/mol, XLogP of 1.68, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(morpholine-4-carbonyl)piperidin-1-yl]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 2853851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).