[3-(1-aminoethyl)piperidin-1-yl]-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanone;dihydrochloride

C22H28Cl2N4O2 — CID 119594920

IUPAC[3-(1-aminoethyl)piperidin-1-yl]-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanone;dihydrochloride
SMILESCC(N)C1CCCN(C(=O)c2cccc(OCc3cn4ccccc4n3)c2)C1.Cl.Cl
InChIInChI=1S/C22H26N4O2.2ClH/c1-16(23)18-7-5-11-26(13-18)22(27)17-6-4-8-20(12-17)28-15-19-14-25-10-3-2-9-21(25)24-19;;/h2-4,6,8-10,12,14,16,18H,5,7,11,13,15,23H2,1H3;2*1H
InChIKeyMHRRHDDMVGSPSO-UHFFFAOYSA-N
MW451.40 g/mol
LogP3.96
Rot. Bonds5

About [3-(1-aminoethyl)piperidin-1-yl]-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanone;dihydrochloride

[3-(1-aminoethyl)piperidin-1-yl]-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanone;dihydrochloride (PubChem CID 119594920) has the molecular formula C22H28Cl2N4O2 and a molecular weight of 451.40 g/mol. Its IUPAC name is [3-(1-aminoethyl)piperidin-1-yl]-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanone;dihydrochloride.

Molecular Properties

Compound Name[3-(1-aminoethyl)piperidin-1-yl]-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanone;dihydrochloride
PubChem CID119594920
Molecular FormulaC22H28Cl2N4O2
Molecular Weight451.40 g/mol
Exact Mass450.16
IUPAC Name[3-(1-aminoethyl)piperidin-1-yl]-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanone;dihydrochloride
SMILESCC(N)C1CCCN(C(=O)c2cccc(OCc3cn4ccccc4n3)c2)C1.Cl.Cl
InChIInChI=1S/C22H26N4O2.2ClH/c1-16(23)18-7-5-11-26(13-18)22(27)17-6-4-8-20(12-17)28-15-19-14-25-10-3-2-9-21(25)24-19;;/h2-4,6,8-10,12,14,16,18H,5,7,11,13,15,23H2,1H3;2*1H
InChIKeyMHRRHDDMVGSPSO-UHFFFAOYSA-N
XLogP3.96
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.40
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(3S)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanone
CID 124691184
[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-[3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 56533058
cyclobutyl-[4-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]piperazin-1-yl]methanone
CID 56512574
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanone
CID 120659116
(2R)-1-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]pyrrolidine-2-carboxylic acid
CID 119371541
[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[3-(pyridin-3-ylmethoxy)phenyl]methanone
CID 124692147
N-cyclopropyl-2-[4-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoyl]piperazin-1-yl]acetamide
CID 55457840
[4-(3,4-dimethylphenoxy)piperidin-1-yl]-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanone
CID 55859064
[(2R)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanone
CID 51930186
[(2S)-2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanone
CID 51930185
ethyl 3-(imidazo[1,2-a]pyridin-2-ylmethoxy)benzoate
CID 112788039
[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-indolizin-2-ylmethanone
CID 124592361

Frequently Asked Questions

What is the IUPAC name of [3-(1-aminoethyl)piperidin-1-yl]-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanone;dihydrochloride?
The IUPAC name of [3-(1-aminoethyl)piperidin-1-yl]-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanone;dihydrochloride (CID 119594920) is [3-(1-aminoethyl)piperidin-1-yl]-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanone;dihydrochloride.
What is the SMILES notation for [3-(1-aminoethyl)piperidin-1-yl]-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanone;dihydrochloride?
The canonical SMILES for [3-(1-aminoethyl)piperidin-1-yl]-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanone;dihydrochloride is CC(N)C1CCCN(C(=O)c2cccc(OCc3cn4ccccc4n3)c2)C1.Cl.Cl.
What is the InChIKey of [3-(1-aminoethyl)piperidin-1-yl]-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanone;dihydrochloride?
The InChIKey is MHRRHDDMVGSPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2.2ClH/c1-16(23)18-7-5-11-26(13-18)22(27)17-6-4-8-20(12-17)28-15-19-14-25-10-3-2-9-21(25)24-19;;/h2-4,6,8-10,12,14,16,18H,5,7,11,13,15,23H2,1H3;2*1H.
What are the key properties of [3-(1-aminoethyl)piperidin-1-yl]-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanone;dihydrochloride?
[3-(1-aminoethyl)piperidin-1-yl]-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanone;dihydrochloride has a molecular weight of 451.40 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-aminoethyl)piperidin-1-yl]-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]methanone;dihydrochloride is sourced from PubChem (CID 119594920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).