2-Indolinone, 1-benzyl-3-methyl-3-piperidinomethyl-, monohydrochloride

C22H27ClN2O — CID 36996

About 2-Indolinone, 1-benzyl-3-methyl-3-piperidinomethyl-, monohydrochloride

2-Indolinone, 1-benzyl-3-methyl-3-piperidinomethyl-, monohydrochloride (PubChem CID 36996) has the molecular formula C22H27ClN2O and a molecular weight of 370.90 g/mol. Its IUPAC name is 1-benzyl-3-methyl-3-(piperidin-1-ium-1-ylmethyl)indol-2-one chloride.

Molecular Properties

Compound Name2-Indolinone, 1-benzyl-3-methyl-3-piperidinomethyl-, monohydrochloride
PubChem CID36996
Molecular FormulaC22H27ClN2O
Molecular Weight370.90 g/mol
Exact Mass370.18
IUPAC Name1-benzyl-3-methyl-3-(piperidin-1-ium-1-ylmethyl)indol-2-one chloride
SMILESCC1(C2=CC=CC=C2N(C1=O)CC3=CC=CC=C3)C[NH+]4CCCCC4.[Cl-]
InChIKeyZVAXSEAMVSGYCP-UHFFFAOYSA-N
XLogPN/A
TPSA24.80 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity467

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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DR-4004
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3,3-Dimethyl-1,3-dihydro-indol-2-one
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CID 5328618
3-[4-(Dimethylamino)benzylidene]indolin-2-one
CID 5353593
(3~{S})-3-[2-[4-(3,4-dimethylphenyl)piperazin-1-yl]ethyl]-2,3-dihydroisoindol-1-one
CID 9798466
1-(2-(4-(4-Fluorobenzoyl)piperidin-1-yl)ethyl)-3,3-dimethylindolin-2-one hydrochloride
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3-{4-[4-(4-chlorophenyl)-piperazin-1-yl]-butyl}-3-ethyl-1,3-dihydro-2H-indol-2-one
CID 11524413