[4-methoxy-3-[(3-methylphenyl)methoxy]phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

C25H27N3O3 — CID 69039345

IUPAC[4-methoxy-3-[(3-methylphenyl)methoxy]phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCOc1ccc(C(=O)N2CCN(c3ccccn3)CC2)cc1OCc1cccc(C)c1
InChIInChI=1S/C25H27N3O3/c1-19-6-5-7-20(16-19)18-31-23-17-21(9-10-22(23)30-2)25(29)28-14-12-27(13-15-28)24-8-3-4-11-26-24/h3-11,16-17H,12-15,18H2,1-2H3
InChIKeyJJYXOYFHYLKFCP-UHFFFAOYSA-N
MW417.51 g/mol
LogP3.94
Rot. Bonds6

About [4-methoxy-3-[(3-methylphenyl)methoxy]phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

[4-methoxy-3-[(3-methylphenyl)methoxy]phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 69039345) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is [4-methoxy-3-[(3-methylphenyl)methoxy]phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-methoxy-3-[(3-methylphenyl)methoxy]phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID69039345
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC Name[4-methoxy-3-[(3-methylphenyl)methoxy]phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESCOc1ccc(C(=O)N2CCN(c3ccccn3)CC2)cc1OCc1cccc(C)c1
InChIInChI=1S/C25H27N3O3/c1-19-6-5-7-20(16-19)18-31-23-17-21(9-10-22(23)30-2)25(29)28-14-12-27(13-15-28)24-8-3-4-11-26-24/h3-11,16-17H,12-15,18H2,1-2H3
InChIKeyJJYXOYFHYLKFCP-UHFFFAOYSA-N
XLogP3.94
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-methoxy-3-[(3-methylphenyl)methoxy]phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone with MolForge

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Related Compounds

[3-[(2-methoxyphenoxy)methyl]phenyl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 19325253
[4-methoxy-3-[2-(6-methyl-2-pyridinyl)ethynyl]phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 53323847
1-[4-(3,4-dimethoxybenzoyl)-1,4-diazepan-1-yl]-2-(3-methylphenyl)ethanone
CID 108935035
2-(2-methoxy-4-methylphenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 18104765
(4-methoxyphenyl)-[4-[3-[(3-methylphenyl)methoxy]benzoyl]piperazin-1-yl]methanone
CID 46666074
(4-methylpiperazin-1-yl)-[3-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]methanone
CID 109053532
3-(4-pyridin-2-ylpiperazine-1-carbonyl)benzoic acid
CID 82183749
3-methoxy-4-[(3-methylphenyl)methoxy]benzamide
CID 6460672
(3,4-dimethoxyphenyl)-[4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 50748559
[4-(difluoromethoxy)-3-methoxyphenyl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 9105975
[3-ethoxy-4-(pyridin-3-ylmethoxy)phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 46671432
(3-methyl-4-nitrophenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 806858

Frequently Asked Questions

What is the IUPAC name of [4-methoxy-3-[(3-methylphenyl)methoxy]phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [4-methoxy-3-[(3-methylphenyl)methoxy]phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 69039345) is [4-methoxy-3-[(3-methylphenyl)methoxy]phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-methoxy-3-[(3-methylphenyl)methoxy]phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [4-methoxy-3-[(3-methylphenyl)methoxy]phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is COc1ccc(C(=O)N2CCN(c3ccccn3)CC2)cc1OCc1cccc(C)c1.
What is the InChIKey of [4-methoxy-3-[(3-methylphenyl)methoxy]phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is JJYXOYFHYLKFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3/c1-19-6-5-7-20(16-19)18-31-23-17-21(9-10-22(23)30-2)25(29)28-14-12-27(13-15-28)24-8-3-4-11-26-24/h3-11,16-17H,12-15,18H2,1-2H3.
What are the key properties of [4-methoxy-3-[(3-methylphenyl)methoxy]phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
[4-methoxy-3-[(3-methylphenyl)methoxy]phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 417.51 g/mol, XLogP of 3.94, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-3-[(3-methylphenyl)methoxy]phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 69039345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).