(3R)-3-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione

C24H33N3O4 — CID 7319242

IUPAC(3R)-3-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
SMILESCCCOc1ccc(N2C(=O)C[C@@H](N3CCC(CCN4CCCC4=O)CC3)C2=O)cc1
InChIInChI=1S/C24H33N3O4/c1-2-16-31-20-7-5-19(6-8-20)27-23(29)17-21(24(27)30)25-13-9-18(10-14-25)11-15-26-12-3-4-22(26)28/h5-8,18,21H,2-4,9-17H2,1H3/t21-/m1/s1
InChIKeyQGLIQEAETDHMLE-OAQYLSRUSA-N
MW427.55 g/mol
LogP2.83
Rot. Bonds8

About (3R)-3-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione

(3R)-3-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione (PubChem CID 7319242) has the molecular formula C24H33N3O4 and a molecular weight of 427.55 g/mol. Its IUPAC name is (3R)-3-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-3-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
PubChem CID7319242
Molecular FormulaC24H33N3O4
Molecular Weight427.55 g/mol
Exact Mass427.25
IUPAC Name(3R)-3-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
SMILESCCCOc1ccc(N2C(=O)C[C@@H](N3CCC(CCN4CCCC4=O)CC3)C2=O)cc1
InChIInChI=1S/C24H33N3O4/c1-2-16-31-20-7-5-19(6-8-20)27-23(29)17-21(24(27)30)25-13-9-18(10-14-25)11-15-26-12-3-4-22(26)28/h5-8,18,21H,2-4,9-17H2,1H3/t21-/m1/s1
InChIKeyQGLIQEAETDHMLE-OAQYLSRUSA-N
XLogP2.83
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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
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
(3S)-3-[4-(2-fluoroanilino)piperidin-1-yl]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
CID 7348201
ethyl 4-[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]piperazine-1-carboxylate
CID 2858062
(3S)-1-(4-butoxyphenyl)-3-(4-ethylpiperazin-1-yl)pyrrolidine-2,5-dione
CID 2273431
(3S)-1-(4-ethoxyphenyl)-3-(4-hydroxypiperidin-1-yl)pyrrolidine-2,5-dione
CID 755238
3-[4-(morpholine-4-carbonyl)piperidin-1-yl]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
CID 2853851
3-(azepan-1-yl)-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione
CID 3139879
1-(4-butoxyphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 2869099
1-(4-butoxyphenyl)-3-(4-phenylpiperazin-1-yl)pyrrolidine-2,5-dione
CID 2869051
3-[4-(1,3-benzodioxol-5-yl)piperazin-1-yl]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
CID 2857585

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione?
The IUPAC name of (3R)-3-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione (CID 7319242) is (3R)-3-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-3-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-3-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione is CCCOc1ccc(N2C(=O)C[C@@H](N3CCC(CCN4CCCC4=O)CC3)C2=O)cc1.
What is the InChIKey of (3R)-3-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione?
The InChIKey is QGLIQEAETDHMLE-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H33N3O4/c1-2-16-31-20-7-5-19(6-8-20)27-23(29)17-21(24(27)30)25-13-9-18(10-14-25)11-15-26-12-3-4-22(26)28/h5-8,18,21H,2-4,9-17H2,1H3/t21-/m1/s1.
What are the key properties of (3R)-3-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione?
(3R)-3-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione has a molecular weight of 427.55 g/mol, XLogP of 2.83, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[4-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 7319242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).