3-[4-(2-methoxyethyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;morpholine

C20H28N4O5 — CID 155750823

IUPAC3-[4-(2-methoxyethyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;morpholine
SMILESC1COCCN1.COCCc1cccc2c1n(C)c(=O)n2C1CCC(=O)NC1=O
InChIInChI=1S/C16H19N3O4.C4H9NO/c1-18-14-10(8-9-23-2)4-3-5-11(14)19(16(18)22)12-6-7-13(20)17-15(12)21;1-3-6-4-2-5-1/h3-5,12H,6-9H2,1-2H3,(H,17,20,21);5H,1-4H2
InChIKeyXGOJUEIJOWFSMK-UHFFFAOYSA-N
MW404.47 g/mol
LogP0.11
Rot. Bonds4

About 3-[4-(2-methoxyethyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;morpholine

3-[4-(2-methoxyethyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;morpholine (PubChem CID 155750823) has the molecular formula C20H28N4O5 and a molecular weight of 404.47 g/mol. Its IUPAC name is 3-[4-(2-methoxyethyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;morpholine.

Molecular Properties

Compound Name3-[4-(2-methoxyethyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;morpholine
PubChem CID155750823
Molecular FormulaC20H28N4O5
Molecular Weight404.47 g/mol
Exact Mass404.21
IUPAC Name3-[4-(2-methoxyethyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;morpholine
SMILESC1COCCN1.COCCc1cccc2c1n(C)c(=O)n2C1CCC(=O)NC1=O
InChIInChI=1S/C16H19N3O4.C4H9NO/c1-18-14-10(8-9-23-2)4-3-5-11(14)19(16(18)22)12-6-7-13(20)17-15(12)21;1-3-6-4-2-5-1/h3-5,12H,6-9H2,1-2H3,(H,17,20,21);5H,1-4H2
InChIKeyXGOJUEIJOWFSMK-UHFFFAOYSA-N
XLogP0.11
TPSA103.59 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(3-hydroperoxypropyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 175172491
3-[3-methyl-2-oxo-4-(piperidin-4-ylmethyl)benzimidazol-1-yl]piperidine-2,6-dione
CID 146599691
5-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]propoxy]pentanal
CID 146599287
3-[3-methyl-2-oxo-4-(4-oxo-4-piperazin-1-ylbutyl)benzimidazol-1-yl]piperidine-2,6-dione
CID 146599424
3-[3-methyl-4-[3-(methylamino)propyl]-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 138694181
3-[4-[3-(3,9-diazaspiro[5.5]undecan-3-yl)propyl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 146599142
3-[3-methyl-4-(2-methylpropyl)-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 166800461
3-[3-methyl-2-oxo-4-[[4-(piperidin-4-ylmethyl)piperidin-1-yl]methyl]benzimidazol-1-yl]piperidine-2,6-dione;hydrochloride
CID 175814867
3-[4-[3-(3-amino-2-fluoropropoxy)propyl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 146598833
tert-butyl 4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]butanoate
CID 146598344
3-[3-methyl-2-oxo-4-[(4-piperidin-4-ylpiperazin-1-yl)methyl]benzimidazol-1-yl]piperidine-2,6-dione
CID 170320481
3-[3-methyl-2-oxo-4-[[4-(piperidin-4-ylmethoxy)piperidin-1-yl]methyl]benzimidazol-1-yl]piperidine-2,6-dione
CID 146599253

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methoxyethyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;morpholine?
The IUPAC name of 3-[4-(2-methoxyethyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;morpholine (CID 155750823) is 3-[4-(2-methoxyethyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;morpholine.
What is the SMILES notation for 3-[4-(2-methoxyethyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;morpholine?
The canonical SMILES for 3-[4-(2-methoxyethyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;morpholine is C1COCCN1.COCCc1cccc2c1n(C)c(=O)n2C1CCC(=O)NC1=O.
What is the InChIKey of 3-[4-(2-methoxyethyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;morpholine?
The InChIKey is XGOJUEIJOWFSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4.C4H9NO/c1-18-14-10(8-9-23-2)4-3-5-11(14)19(16(18)22)12-6-7-13(20)17-15(12)21;1-3-6-4-2-5-1/h3-5,12H,6-9H2,1-2H3,(H,17,20,21);5H,1-4H2.
What are the key properties of 3-[4-(2-methoxyethyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;morpholine?
3-[4-(2-methoxyethyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;morpholine has a molecular weight of 404.47 g/mol, XLogP of 0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methoxyethyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;morpholine is sourced from PubChem (CID 155750823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).