2-[(2R)-4-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]propyl]morpholin-2-yl]ethyl N-methylcarbamate

C24H33N5O6 — CID 138694836

IUPAC2-[(2R)-4-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]propyl]morpholin-2-yl]ethyl N-methylcarbamate
SMILESCNC(=O)OCC[C@@H]1CN(CCCc2cccc3c2n(C)c(=O)n3C2CCC(=O)NC2=O)CCO1
InChIInChI=1S/C24H33N5O6/c1-25-23(32)35-13-10-17-15-28(12-14-34-17)11-4-6-16-5-3-7-18-21(16)27(2)24(33)29(18)19-8-9-20(30)26-22(19)31/h3,5,7,17,19H,4,6,8-15H2,1-2H3,(H,25,32)(H,26,30,31)/t17-,19?/m1/s1
InChIKeyUCDZAIQZTDRAOQ-DUSLRRAJSA-N
MW487.56 g/mol
LogP0.70
Rot. Bonds8

About 2-[(2R)-4-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]propyl]morpholin-2-yl]ethyl N-methylcarbamate

2-[(2R)-4-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]propyl]morpholin-2-yl]ethyl N-methylcarbamate (PubChem CID 138694836) has the molecular formula C24H33N5O6 and a molecular weight of 487.56 g/mol. Its IUPAC name is 2-[(2R)-4-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]propyl]morpholin-2-yl]ethyl N-methylcarbamate.

Molecular Properties

Compound Name2-[(2R)-4-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]propyl]morpholin-2-yl]ethyl N-methylcarbamate
PubChem CID138694836
Molecular FormulaC24H33N5O6
Molecular Weight487.56 g/mol
Exact Mass487.24
IUPAC Name2-[(2R)-4-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]propyl]morpholin-2-yl]ethyl N-methylcarbamate
SMILESCNC(=O)OCC[C@@H]1CN(CCCc2cccc3c2n(C)c(=O)n3C2CCC(=O)NC2=O)CCO1
InChIInChI=1S/C24H33N5O6/c1-25-23(32)35-13-10-17-15-28(12-14-34-17)11-4-6-16-5-3-7-18-21(16)27(2)24(33)29(18)19-8-9-20(30)26-22(19)31/h3,5,7,17,19H,4,6,8-15H2,1-2H3,(H,25,32)(H,26,30,31)/t17-,19?/m1/s1
InChIKeyUCDZAIQZTDRAOQ-DUSLRRAJSA-N
XLogP0.70
TPSA123.90 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.56
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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
tert-butyl 4-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]propyl]piperazine-1-carboxylate
CID 156861046
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
(1R,5S)-3-[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]butyl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylic acid
CID 146599111
tert-butyl 2-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]propyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 146599514
tert-butyl 4-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]propyl]piperidine-1-carboxylate
CID 146599088
tert-butyl N-[2-[2-[2-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]propoxy]ethoxy]ethoxy]ethyl]carbamate
CID 138695774
3-[4-[3-[(2R)-2-[2-[[4-[4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]phenyl]methyl-methylamino]ethyl]morpholin-4-yl]propyl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 167386870
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
5-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]propoxy]pentanal
CID 146599287

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]propyl]morpholin-2-yl]ethyl N-methylcarbamate?
The IUPAC name of 2-[(2R)-4-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]propyl]morpholin-2-yl]ethyl N-methylcarbamate (CID 138694836) is 2-[(2R)-4-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]propyl]morpholin-2-yl]ethyl N-methylcarbamate.
What is the SMILES notation for 2-[(2R)-4-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]propyl]morpholin-2-yl]ethyl N-methylcarbamate?
The canonical SMILES for 2-[(2R)-4-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]propyl]morpholin-2-yl]ethyl N-methylcarbamate is CNC(=O)OCC[C@@H]1CN(CCCc2cccc3c2n(C)c(=O)n3C2CCC(=O)NC2=O)CCO1.
What is the InChIKey of 2-[(2R)-4-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]propyl]morpholin-2-yl]ethyl N-methylcarbamate?
The InChIKey is UCDZAIQZTDRAOQ-DUSLRRAJSA-N. The full InChI is InChI=1S/C24H33N5O6/c1-25-23(32)35-13-10-17-15-28(12-14-34-17)11-4-6-16-5-3-7-18-21(16)27(2)24(33)29(18)19-8-9-20(30)26-22(19)31/h3,5,7,17,19H,4,6,8-15H2,1-2H3,(H,25,32)(H,26,30,31)/t17-,19?/m1/s1.
What are the key properties of 2-[(2R)-4-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]propyl]morpholin-2-yl]ethyl N-methylcarbamate?
2-[(2R)-4-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]propyl]morpholin-2-yl]ethyl N-methylcarbamate has a molecular weight of 487.56 g/mol, XLogP of 0.70, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-4-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]propyl]morpholin-2-yl]ethyl N-methylcarbamate is sourced from PubChem (CID 138694836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).