2-(2,3-dimethoxyphenyl)-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]ethanone

C18H23N3O3 — CID 70739869

IUPAC2-(2,3-dimethoxyphenyl)-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]ethanone
SMILESCOc1cccc(CC(=O)N2CCC(c3ncc[nH]3)CC2)c1OC
InChIInChI=1S/C18H23N3O3/c1-23-15-5-3-4-14(17(15)24-2)12-16(22)21-10-6-13(7-11-21)18-19-8-9-20-18/h3-5,8-9,13H,6-7,10-12H2,1-2H3,(H,19,20)
InChIKeyUQISJOMDUZPEME-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.38
Rot. Bonds5

About 2-(2,3-dimethoxyphenyl)-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]ethanone

2-(2,3-dimethoxyphenyl)-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]ethanone (PubChem CID 70739869) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-(2,3-dimethoxyphenyl)-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2,3-dimethoxyphenyl)-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]ethanone
PubChem CID70739869
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name2-(2,3-dimethoxyphenyl)-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]ethanone
SMILESCOc1cccc(CC(=O)N2CCC(c3ncc[nH]3)CC2)c1OC
InChIInChI=1S/C18H23N3O3/c1-23-15-5-3-4-14(17(15)24-2)12-16(22)21-10-6-13(7-11-21)18-19-8-9-20-18/h3-5,8-9,13H,6-7,10-12H2,1-2H3,(H,19,20)
InChIKeyUQISJOMDUZPEME-UHFFFAOYSA-N
XLogP2.38
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-2-[2-(trifluoromethyl)phenyl]ethanone
CID 72842618
2-(2,1,3-benzothiadiazol-4-yl)-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]ethanone
CID 166262777
3-(1H-imidazol-2-yl)-N-[(3-methoxy-2-methylphenyl)methyl]piperidine-1-carboxamide
CID 136553406
1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one
CID 110725809
3-chloro-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]propan-1-one
CID 110480830
2-(2-methoxyphenyl)-1-[4-(1-methylimidazol-2-yl)piperidin-1-yl]ethanone
CID 70718807
5-[4-(1H-imidazol-2-yl)piperidin-1-yl]-5-oxopentanoic acid
CID 110482691
2-(2,3-dimethoxyphenoxy)-1-(4-hydroxypiperidin-1-yl)ethanone
CID 39404473
1-[4-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 72863467
3-(2,3-dimethoxyphenoxy)-1-(4-hydroxypiperidin-1-yl)propan-1-one
CID 39445675
N-(2,2-dimethylpropyl)-4-(1H-imidazol-2-yl)piperidine-1-carboxamide
CID 110748389
[4-(1H-imidazol-2-yl)piperidin-1-yl]-[1-(methoxymethyl)cyclobutyl]methanone
CID 74243551

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethoxyphenyl)-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(2,3-dimethoxyphenyl)-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]ethanone (CID 70739869) is 2-(2,3-dimethoxyphenyl)-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2,3-dimethoxyphenyl)-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2,3-dimethoxyphenyl)-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]ethanone is COc1cccc(CC(=O)N2CCC(c3ncc[nH]3)CC2)c1OC.
What is the InChIKey of 2-(2,3-dimethoxyphenyl)-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]ethanone?
The InChIKey is UQISJOMDUZPEME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-23-15-5-3-4-14(17(15)24-2)12-16(22)21-10-6-13(7-11-21)18-19-8-9-20-18/h3-5,8-9,13H,6-7,10-12H2,1-2H3,(H,19,20).
What are the key properties of 2-(2,3-dimethoxyphenyl)-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]ethanone?
2-(2,3-dimethoxyphenyl)-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]ethanone has a molecular weight of 329.40 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethoxyphenyl)-1-[4-(1H-imidazol-2-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 70739869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).