(3R)-1-(4-ethoxyphenyl)-3-[(2R)-2-methylpiperidin-1-yl]pyrrolidine-2,5-dione

C18H24N2O3 — CID 6544255

IUPAC(3R)-1-(4-ethoxyphenyl)-3-[(2R)-2-methylpiperidin-1-yl]pyrrolidine-2,5-dione
SMILESCCOc1ccc(N2C(=O)C[C@@H](N3CCCC[C@H]3C)C2=O)cc1
InChIInChI=1S/C18H24N2O3/c1-3-23-15-9-7-14(8-10-15)20-17(21)12-16(18(20)22)19-11-5-4-6-13(19)2/h7-10,13,16H,3-6,11-12H2,1-2H3/t13-,16-/m1/s1
InChIKeyMLPVBTRSXSOQKB-CZUORRHYSA-N
MW316.40 g/mol
LogP2.59
Rot. Bonds4

About (3R)-1-(4-ethoxyphenyl)-3-[(2R)-2-methylpiperidin-1-yl]pyrrolidine-2,5-dione

(3R)-1-(4-ethoxyphenyl)-3-[(2R)-2-methylpiperidin-1-yl]pyrrolidine-2,5-dione (PubChem CID 6544255) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is (3R)-1-(4-ethoxyphenyl)-3-[(2R)-2-methylpiperidin-1-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-1-(4-ethoxyphenyl)-3-[(2R)-2-methylpiperidin-1-yl]pyrrolidine-2,5-dione
PubChem CID6544255
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name(3R)-1-(4-ethoxyphenyl)-3-[(2R)-2-methylpiperidin-1-yl]pyrrolidine-2,5-dione
SMILESCCOc1ccc(N2C(=O)C[C@@H](N3CCCC[C@H]3C)C2=O)cc1
InChIInChI=1S/C18H24N2O3/c1-3-23-15-9-7-14(8-10-15)20-17(21)12-16(18(20)22)19-11-5-4-6-13(19)2/h7-10,13,16H,3-6,11-12H2,1-2H3/t13-,16-/m1/s1
InChIKeyMLPVBTRSXSOQKB-CZUORRHYSA-N
XLogP2.59
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(azepan-1-yl)-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione
CID 3139879
(3S)-1-(4-ethoxyphenyl)-3-(4-hydroxypiperidin-1-yl)pyrrolidine-2,5-dione
CID 755238
(3S)-1-(4-ethoxyphenyl)-3-(4-ethylpiperazin-1-yl)pyrrolidine-2,5-dione
CID 702410
ethyl (3R)-1-[(3R)-1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-3-carboxylate
CID 6550217
[(3R)-1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]azanium
CID 7198359
1-(4-ethoxyphenyl)-3-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 2850421
(3aS,7aR)-2-(4-ethoxyphenyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 7032574
1-(4-ethoxyphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 2840525
(3S)-1-(4-ethoxyphenyl)-3-[[(1R,2R)-2-methylcyclohexyl]amino]pyrrolidine-2,5-dione
CID 7448639
cyclohexyl-[(3R)-1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-methylazanium
CID 7474645
(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
[2-(4-ethoxyphenyl)-2-oxoethyl] 4-(2,5-dioxo-3-piperidin-1-ylpyrrolidin-1-yl)benzoate
CID 23095911

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-ethoxyphenyl)-3-[(2R)-2-methylpiperidin-1-yl]pyrrolidine-2,5-dione?
The IUPAC name of (3R)-1-(4-ethoxyphenyl)-3-[(2R)-2-methylpiperidin-1-yl]pyrrolidine-2,5-dione (CID 6544255) is (3R)-1-(4-ethoxyphenyl)-3-[(2R)-2-methylpiperidin-1-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-1-(4-ethoxyphenyl)-3-[(2R)-2-methylpiperidin-1-yl]pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-1-(4-ethoxyphenyl)-3-[(2R)-2-methylpiperidin-1-yl]pyrrolidine-2,5-dione is CCOc1ccc(N2C(=O)C[C@@H](N3CCCC[C@H]3C)C2=O)cc1.
What is the InChIKey of (3R)-1-(4-ethoxyphenyl)-3-[(2R)-2-methylpiperidin-1-yl]pyrrolidine-2,5-dione?
The InChIKey is MLPVBTRSXSOQKB-CZUORRHYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-3-23-15-9-7-14(8-10-15)20-17(21)12-16(18(20)22)19-11-5-4-6-13(19)2/h7-10,13,16H,3-6,11-12H2,1-2H3/t13-,16-/m1/s1.
What are the key properties of (3R)-1-(4-ethoxyphenyl)-3-[(2R)-2-methylpiperidin-1-yl]pyrrolidine-2,5-dione?
(3R)-1-(4-ethoxyphenyl)-3-[(2R)-2-methylpiperidin-1-yl]pyrrolidine-2,5-dione has a molecular weight of 316.40 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-ethoxyphenyl)-3-[(2R)-2-methylpiperidin-1-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 6544255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).