2-(2-methoxy-4,5-dimethylphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone

C20H25N3O2 — CID 110767938

IUPAC2-(2-methoxy-4,5-dimethylphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
SMILESCOc1cc(C)c(C)cc1CC(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C20H25N3O2/c1-15-12-17(18(25-3)13-16(15)2)14-20(24)23-10-8-22(9-11-23)19-6-4-5-7-21-19/h4-7,12-13H,8-11,14H2,1-3H3
InChIKeyKPUNEXSVMMSQOH-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.60
Rot. Bonds4

About 2-(2-methoxy-4,5-dimethylphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone

2-(2-methoxy-4,5-dimethylphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone (PubChem CID 110767938) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-(2-methoxy-4,5-dimethylphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2-methoxy-4,5-dimethylphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
PubChem CID110767938
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name2-(2-methoxy-4,5-dimethylphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
SMILESCOc1cc(C)c(C)cc1CC(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C20H25N3O2/c1-15-12-17(18(25-3)13-16(15)2)14-20(24)23-10-8-22(9-11-23)19-6-4-5-7-21-19/h4-7,12-13H,8-11,14H2,1-3H3
InChIKeyKPUNEXSVMMSQOH-UHFFFAOYSA-N
XLogP2.60
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxyphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 762691
2-(5-chloro-2-methoxyphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 110767256
2-(2-methoxy-4-methylphenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 18104765
2-(5,6-dimethoxy-2-methyl-1H-indol-3-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 12746862
5-methoxy-2-methyl-1-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]pyridin-4-one
CID 91639229
2-pyridin-2-yl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 110696951
1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 18714915
2-(3-methylquinolin-2-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 110854935
2-(2,3-dimethylphenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 934031
2-(7-methyl-1H-indol-3-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 110854852
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(4-pyridin-2-ylpiperazin-1-yl)ethane-1,2-dione
CID 108530749
N-[(3,4-dimethoxyphenyl)methyl]-3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 108949886

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-4,5-dimethylphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(2-methoxy-4,5-dimethylphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone (CID 110767938) is 2-(2-methoxy-4,5-dimethylphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(2-methoxy-4,5-dimethylphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(2-methoxy-4,5-dimethylphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone is COc1cc(C)c(C)cc1CC(=O)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 2-(2-methoxy-4,5-dimethylphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The InChIKey is KPUNEXSVMMSQOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-15-12-17(18(25-3)13-16(15)2)14-20(24)23-10-8-22(9-11-23)19-6-4-5-7-21-19/h4-7,12-13H,8-11,14H2,1-3H3.
What are the key properties of 2-(2-methoxy-4,5-dimethylphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
2-(2-methoxy-4,5-dimethylphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone has a molecular weight of 339.44 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-4,5-dimethylphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 110767938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).