1-[2-(4-methoxyphenyl)-4-[(6-methyl-3-pyridinyl)methyl]piperazin-1-yl]ethanone

C20H25N3O2 — CID 110109739

IUPAC1-[2-(4-methoxyphenyl)-4-[(6-methyl-3-pyridinyl)methyl]piperazin-1-yl]ethanone
SMILESCOc1ccc(C2CN(Cc3ccc(C)nc3)CCN2C(C)=O)cc1
InChIInChI=1S/C20H25N3O2/c1-15-4-5-17(12-21-15)13-22-10-11-23(16(2)24)20(14-22)18-6-8-19(25-3)9-7-18/h4-9,12,20H,10-11,13-14H2,1-3H3
InChIKeyUQJWWBGQNDBMTK-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.80
Rot. Bonds4

About 1-[2-(4-methoxyphenyl)-4-[(6-methyl-3-pyridinyl)methyl]piperazin-1-yl]ethanone

1-[2-(4-methoxyphenyl)-4-[(6-methyl-3-pyridinyl)methyl]piperazin-1-yl]ethanone (PubChem CID 110109739) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)-4-[(6-methyl-3-pyridinyl)methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-(4-methoxyphenyl)-4-[(6-methyl-3-pyridinyl)methyl]piperazin-1-yl]ethanone
PubChem CID110109739
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name1-[2-(4-methoxyphenyl)-4-[(6-methyl-3-pyridinyl)methyl]piperazin-1-yl]ethanone
SMILESCOc1ccc(C2CN(Cc3ccc(C)nc3)CCN2C(C)=O)cc1
InChIInChI=1S/C20H25N3O2/c1-15-4-5-17(12-21-15)13-22-10-11-23(16(2)24)20(14-22)18-6-8-19(25-3)9-7-18/h4-9,12,20H,10-11,13-14H2,1-3H3
InChIKeyUQJWWBGQNDBMTK-UHFFFAOYSA-N
XLogP2.80
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 ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2R)-2-(4-methoxyphenyl)-4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]ethanone
CID 124966168
1-[2-(4-methoxyphenyl)-4-(1,3-thiazol-2-ylmethyl)piperazin-1-yl]ethanone
CID 110109735
1-[2-(4-methoxyphenyl)-4-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]piperazin-1-yl]ethanone
CID 132772361
1-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-2-(6-methyl-3-pyridinyl)ethanone
CID 94149813
(2S)-1-acetyl-4-[(4-methoxyphenyl)methyl]piperazine-2-carboxamide
CID 95811271
1-[(2S)-2-phenyl-4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone
CID 124955965
2-(4-methoxyphenyl)-1-methyl-4-(pyridin-3-ylmethyl)piperazine
CID 110098244
1-[(2R)-2-(2-methoxyphenyl)-4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone
CID 124955238
1-[(6-methyl-3-pyridinyl)methyl]pyrrolidine-3-carboxylic acid
CID 104823895
1-[(6-methyl-3-pyridinyl)methyl]azetidine-3-carboxylic acid
CID 104823904
2-[(3R)-4-acetyl-3-(4-methoxyphenyl)piperazin-1-yl]-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide
CID 124960017
N-(4-acetamido-2-chlorophenyl)-2-[4-acetyl-3-(4-methoxyphenyl)piperazin-1-yl]acetamide
CID 110122381

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenyl)-4-[(6-methyl-3-pyridinyl)methyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[2-(4-methoxyphenyl)-4-[(6-methyl-3-pyridinyl)methyl]piperazin-1-yl]ethanone (CID 110109739) is 1-[2-(4-methoxyphenyl)-4-[(6-methyl-3-pyridinyl)methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[2-(4-methoxyphenyl)-4-[(6-methyl-3-pyridinyl)methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[2-(4-methoxyphenyl)-4-[(6-methyl-3-pyridinyl)methyl]piperazin-1-yl]ethanone is COc1ccc(C2CN(Cc3ccc(C)nc3)CCN2C(C)=O)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenyl)-4-[(6-methyl-3-pyridinyl)methyl]piperazin-1-yl]ethanone?
The InChIKey is UQJWWBGQNDBMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-15-4-5-17(12-21-15)13-22-10-11-23(16(2)24)20(14-22)18-6-8-19(25-3)9-7-18/h4-9,12,20H,10-11,13-14H2,1-3H3.
What are the key properties of 1-[2-(4-methoxyphenyl)-4-[(6-methyl-3-pyridinyl)methyl]piperazin-1-yl]ethanone?
1-[2-(4-methoxyphenyl)-4-[(6-methyl-3-pyridinyl)methyl]piperazin-1-yl]ethanone has a molecular weight of 339.44 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenyl)-4-[(6-methyl-3-pyridinyl)methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 110109739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).