[3-(methylaminomethyl)piperidin-1-yl]-[2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone;dihydrochloride

C23H30Cl2N4O2 — CID 119397448

IUPAC[3-(methylaminomethyl)piperidin-1-yl]-[2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone;dihydrochloride
SMILESCNCC1CCCN(C(=O)c2ccccc2OCc2cn3cccc(C)c3n2)C1.Cl.Cl
InChIInChI=1S/C23H28N4O2.2ClH/c1-17-7-5-11-26-15-19(25-22(17)26)16-29-21-10-4-3-9-20(21)23(28)27-12-6-8-18(14-27)13-24-2;;/h3-5,7,9-11,15,18,24H,6,8,12-14,16H2,1-2H3;2*1H
InChIKeyCFOXYDCEAFRRIU-UHFFFAOYSA-N
MW465.43 g/mol
LogP4.14
Rot. Bonds6

About [3-(methylaminomethyl)piperidin-1-yl]-[2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone;dihydrochloride

[3-(methylaminomethyl)piperidin-1-yl]-[2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone;dihydrochloride (PubChem CID 119397448) has the molecular formula C23H30Cl2N4O2 and a molecular weight of 465.43 g/mol. Its IUPAC name is [3-(methylaminomethyl)piperidin-1-yl]-[2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone;dihydrochloride.

Molecular Properties

Compound Name[3-(methylaminomethyl)piperidin-1-yl]-[2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone;dihydrochloride
PubChem CID119397448
Molecular FormulaC23H30Cl2N4O2
Molecular Weight465.43 g/mol
Exact Mass464.17
IUPAC Name[3-(methylaminomethyl)piperidin-1-yl]-[2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone;dihydrochloride
SMILESCNCC1CCCN(C(=O)c2ccccc2OCc2cn3cccc(C)c3n2)C1.Cl.Cl
InChIInChI=1S/C23H28N4O2.2ClH/c1-17-7-5-11-26-15-19(25-22(17)26)16-29-21-10-4-3-9-20(21)23(28)27-12-6-8-18(14-27)13-24-2;;/h3-5,7,9-11,15,18,24H,6,8,12-14,16H2,1-2H3;2*1H
InChIKeyCFOXYDCEAFRRIU-UHFFFAOYSA-N
XLogP4.14
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.43
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]piperidin-3-yl]methanesulfonamide
CID 55679342
[2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]methanone
CID 55556974
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone
CID 120659124
[1-[2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]piperidin-4-yl]-phenylmethanone
CID 24682976
[4-(4-fluorophenyl)piperazin-1-yl]-[2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone
CID 55503896
[4-[2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]-1,4-diazepan-1-yl]-(3-methylphenyl)methanone
CID 36636036
[2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 38169426
N-[2-(methylamino)ethyl]-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide;dihydrochloride
CID 119502756
[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]-[2-(1,3-thiazol-4-ylmethoxy)phenyl]methanone
CID 125146059
N-ethyl-N-methyl-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
CID 134005773
[(3R)-3-aminopyrrolidin-1-yl]-[2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone;dihydrochloride
CID 119412488
N-[2-(methylamino)propyl]-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide;dihydrochloride
CID 120831701

Frequently Asked Questions

What is the IUPAC name of [3-(methylaminomethyl)piperidin-1-yl]-[2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone;dihydrochloride?
The IUPAC name of [3-(methylaminomethyl)piperidin-1-yl]-[2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone;dihydrochloride (CID 119397448) is [3-(methylaminomethyl)piperidin-1-yl]-[2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone;dihydrochloride.
What is the SMILES notation for [3-(methylaminomethyl)piperidin-1-yl]-[2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone;dihydrochloride?
The canonical SMILES for [3-(methylaminomethyl)piperidin-1-yl]-[2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone;dihydrochloride is CNCC1CCCN(C(=O)c2ccccc2OCc2cn3cccc(C)c3n2)C1.Cl.Cl.
What is the InChIKey of [3-(methylaminomethyl)piperidin-1-yl]-[2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone;dihydrochloride?
The InChIKey is CFOXYDCEAFRRIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2.2ClH/c1-17-7-5-11-26-15-19(25-22(17)26)16-29-21-10-4-3-9-20(21)23(28)27-12-6-8-18(14-27)13-24-2;;/h3-5,7,9-11,15,18,24H,6,8,12-14,16H2,1-2H3;2*1H.
What are the key properties of [3-(methylaminomethyl)piperidin-1-yl]-[2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone;dihydrochloride?
[3-(methylaminomethyl)piperidin-1-yl]-[2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone;dihydrochloride has a molecular weight of 465.43 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylaminomethyl)piperidin-1-yl]-[2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]methanone;dihydrochloride is sourced from PubChem (CID 119397448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).