3-[3-methyl-2-oxo-4-[[4-(piperidin-4-ylmethyl)piperidin-1-yl]methyl]benzimidazol-1-yl]piperidine-2,6-dione;hydrochloride

C25H36ClN5O3 — CID 175814867

IUPAC3-[3-methyl-2-oxo-4-[[4-(piperidin-4-ylmethyl)piperidin-1-yl]methyl]benzimidazol-1-yl]piperidine-2,6-dione;hydrochloride
SMILESCl.Cn1c(=O)n(C2CCC(=O)NC2=O)c2cccc(CN3CCC(CC4CCNCC4)CC3)c21
InChIInChI=1S/C25H35N5O3.ClH/c1-28-23-19(16-29-13-9-18(10-14-29)15-17-7-11-26-12-8-17)3-2-4-20(23)30(25(28)33)21-5-6-22(31)27-24(21)32;/h2-4,17-18,21,26H,5-16H2,1H3,(H,27,31,32);1H
InChIKeyFEBWUWLYXRAPSE-UHFFFAOYSA-N
MW490.05 g/mol
LogP2.34
Rot. Bonds5

About 3-[3-methyl-2-oxo-4-[[4-(piperidin-4-ylmethyl)piperidin-1-yl]methyl]benzimidazol-1-yl]piperidine-2,6-dione;hydrochloride

3-[3-methyl-2-oxo-4-[[4-(piperidin-4-ylmethyl)piperidin-1-yl]methyl]benzimidazol-1-yl]piperidine-2,6-dione;hydrochloride (PubChem CID 175814867) has the molecular formula C25H36ClN5O3 and a molecular weight of 490.05 g/mol. Its IUPAC name is 3-[3-methyl-2-oxo-4-[[4-(piperidin-4-ylmethyl)piperidin-1-yl]methyl]benzimidazol-1-yl]piperidine-2,6-dione;hydrochloride.

Molecular Properties

Compound Name3-[3-methyl-2-oxo-4-[[4-(piperidin-4-ylmethyl)piperidin-1-yl]methyl]benzimidazol-1-yl]piperidine-2,6-dione;hydrochloride
PubChem CID175814867
Molecular FormulaC25H36ClN5O3
Molecular Weight490.05 g/mol
Exact Mass489.25
IUPAC Name3-[3-methyl-2-oxo-4-[[4-(piperidin-4-ylmethyl)piperidin-1-yl]methyl]benzimidazol-1-yl]piperidine-2,6-dione;hydrochloride
SMILESCl.Cn1c(=O)n(C2CCC(=O)NC2=O)c2cccc(CN3CCC(CC4CCNCC4)CC3)c21
InChIInChI=1S/C25H35N5O3.ClH/c1-28-23-19(16-29-13-9-18(10-14-29)15-17-7-11-26-12-8-17)3-2-4-20(23)30(25(28)33)21-5-6-22(31)27-24(21)32;/h2-4,17-18,21,26H,5-16H2,1H3,(H,27,31,32);1H
InChIKeyFEBWUWLYXRAPSE-UHFFFAOYSA-N
XLogP2.34
TPSA88.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.05
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-[3-methyl-2-oxo-4-[[4-(piperidin-4-ylmethoxy)piperidin-1-yl]methyl]benzimidazol-1-yl]piperidine-2,6-dione
CID 146599253
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-(piperidin-4-ylmethyl)benzimidazol-1-yl]piperidine-2,6-dione
CID 146599691
3-[3-methyl-4-[[4-(methylamino)piperidin-1-yl]methyl]-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 138696058
4-[2-[1-[[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]methyl]piperidin-4-yl]ethyl]piperidine-1-carbaldehyde
CID 170572951
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-oxo-4-piperazin-1-ylbutyl)benzimidazol-1-yl]piperidine-2,6-dione
CID 146599424
3-[4-(2-methoxyethyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;morpholine
CID 155750823
3-[3-methyl-4-[3-(methylamino)propyl]-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 138694181
3-[4-(3-hydroperoxypropyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 175172491
tert-butyl 3,9-diazaspiro[5.5]undecane-3-carboxylate;tert-butyl 9-[[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]methyl]-3,9-diazaspiro[5.5]undecane-3-carboxylate;3-[4-(3,9-diazaspiro[5.5]undecan-3-ylmethyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazole-4-carbaldehyde;methane;tungsten;hydrochloride
CID 159951150

Frequently Asked Questions

What is the IUPAC name of 3-[3-methyl-2-oxo-4-[[4-(piperidin-4-ylmethyl)piperidin-1-yl]methyl]benzimidazol-1-yl]piperidine-2,6-dione;hydrochloride?
The IUPAC name of 3-[3-methyl-2-oxo-4-[[4-(piperidin-4-ylmethyl)piperidin-1-yl]methyl]benzimidazol-1-yl]piperidine-2,6-dione;hydrochloride (CID 175814867) is 3-[3-methyl-2-oxo-4-[[4-(piperidin-4-ylmethyl)piperidin-1-yl]methyl]benzimidazol-1-yl]piperidine-2,6-dione;hydrochloride.
What is the SMILES notation for 3-[3-methyl-2-oxo-4-[[4-(piperidin-4-ylmethyl)piperidin-1-yl]methyl]benzimidazol-1-yl]piperidine-2,6-dione;hydrochloride?
The canonical SMILES for 3-[3-methyl-2-oxo-4-[[4-(piperidin-4-ylmethyl)piperidin-1-yl]methyl]benzimidazol-1-yl]piperidine-2,6-dione;hydrochloride is Cl.Cn1c(=O)n(C2CCC(=O)NC2=O)c2cccc(CN3CCC(CC4CCNCC4)CC3)c21.
What is the InChIKey of 3-[3-methyl-2-oxo-4-[[4-(piperidin-4-ylmethyl)piperidin-1-yl]methyl]benzimidazol-1-yl]piperidine-2,6-dione;hydrochloride?
The InChIKey is FEBWUWLYXRAPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N5O3.ClH/c1-28-23-19(16-29-13-9-18(10-14-29)15-17-7-11-26-12-8-17)3-2-4-20(23)30(25(28)33)21-5-6-22(31)27-24(21)32;/h2-4,17-18,21,26H,5-16H2,1H3,(H,27,31,32);1H.
What are the key properties of 3-[3-methyl-2-oxo-4-[[4-(piperidin-4-ylmethyl)piperidin-1-yl]methyl]benzimidazol-1-yl]piperidine-2,6-dione;hydrochloride?
3-[3-methyl-2-oxo-4-[[4-(piperidin-4-ylmethyl)piperidin-1-yl]methyl]benzimidazol-1-yl]piperidine-2,6-dione;hydrochloride has a molecular weight of 490.05 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-methyl-2-oxo-4-[[4-(piperidin-4-ylmethyl)piperidin-1-yl]methyl]benzimidazol-1-yl]piperidine-2,6-dione;hydrochloride is sourced from PubChem (CID 175814867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).