1-[2-(4-methoxyphenyl)-4-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]piperazin-1-yl]ethanone

C26H29N3O3 — CID 132772361

IUPAC1-[2-(4-methoxyphenyl)-4-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]piperazin-1-yl]ethanone
SMILESCOc1ccc(C2CN(Cc3ccccc3OCc3cccnc3)CCN2C(C)=O)cc1
InChIInChI=1S/C26H29N3O3/c1-20(30)29-15-14-28(18-25(29)22-9-11-24(31-2)12-10-22)17-23-7-3-4-8-26(23)32-19-21-6-5-13-27-16-21/h3-13,16,25H,14-15,17-19H2,1-2H3
InChIKeyFGCWHJOXAQQQIE-UHFFFAOYSA-N
MW431.54 g/mol
LogP4.07
Rot. Bonds7

About 1-[2-(4-methoxyphenyl)-4-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]piperazin-1-yl]ethanone

1-[2-(4-methoxyphenyl)-4-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]piperazin-1-yl]ethanone (PubChem CID 132772361) has the molecular formula C26H29N3O3 and a molecular weight of 431.54 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)-4-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-(4-methoxyphenyl)-4-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]piperazin-1-yl]ethanone
PubChem CID132772361
Molecular FormulaC26H29N3O3
Molecular Weight431.54 g/mol
Exact Mass431.22
IUPAC Name1-[2-(4-methoxyphenyl)-4-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]piperazin-1-yl]ethanone
SMILESCOc1ccc(C2CN(Cc3ccccc3OCc3cccnc3)CCN2C(C)=O)cc1
InChIInChI=1S/C26H29N3O3/c1-20(30)29-15-14-28(18-25(29)22-9-11-24(31-2)12-10-22)17-23-7-3-4-8-26(23)32-19-21-6-5-13-27-16-21/h3-13,16,25H,14-15,17-19H2,1-2H3
InChIKeyFGCWHJOXAQQQIE-UHFFFAOYSA-N
XLogP4.07
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[2-(4-methoxyphenyl)-4-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]piperazin-1-yl]ethanone with MolForge

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Related Compounds

1-[(2R)-2-(2-methoxyphenyl)-4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone
CID 124955238
1-[2-(4-methoxyphenyl)-4-[(6-methyl-3-pyridinyl)methyl]piperazin-1-yl]ethanone
CID 110109739
2-(4-methoxyphenyl)-1-methyl-4-(pyridin-3-ylmethyl)piperazine
CID 110098244
1-[(3S)-3-(4-methoxyphenyl)-4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone
CID 124947507
1-[(2R)-2-(4-methoxyphenyl)-4-[(5-methyl-1H-imidazol-4-yl)methyl]piperazin-1-yl]ethanone
CID 124966168
1-[(3S)-3-(4-methoxyphenyl)-4-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]piperazin-1-yl]ethanone
CID 124960795
1-[(2S)-2-phenyl-4-(pyridin-4-ylmethyl)piperazin-1-yl]ethanone
CID 124955965
4-(4-methoxyphenyl)-1-(pyridin-3-ylmethyl)piperidin-3-ol
CID 649162
4-methyl-1-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]pyrrolidin-3-amine;hydrochloride
CID 120909460
(4aR,8aR)-6-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine
CID 97159786
1-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]-1,4-diazepan-5-one
CID 75439270
1-[3-(4-methoxyphenyl)-4-[4-methyl-3-(pyridin-3-ylmethylamino)benzoyl]piperazin-1-yl]ethanone
CID 132767525

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenyl)-4-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[2-(4-methoxyphenyl)-4-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]piperazin-1-yl]ethanone (CID 132772361) is 1-[2-(4-methoxyphenyl)-4-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[2-(4-methoxyphenyl)-4-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[2-(4-methoxyphenyl)-4-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]piperazin-1-yl]ethanone is COc1ccc(C2CN(Cc3ccccc3OCc3cccnc3)CCN2C(C)=O)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenyl)-4-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]piperazin-1-yl]ethanone?
The InChIKey is FGCWHJOXAQQQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O3/c1-20(30)29-15-14-28(18-25(29)22-9-11-24(31-2)12-10-22)17-23-7-3-4-8-26(23)32-19-21-6-5-13-27-16-21/h3-13,16,25H,14-15,17-19H2,1-2H3.
What are the key properties of 1-[2-(4-methoxyphenyl)-4-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]piperazin-1-yl]ethanone?
1-[2-(4-methoxyphenyl)-4-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]piperazin-1-yl]ethanone has a molecular weight of 431.54 g/mol, XLogP of 4.07, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenyl)-4-[[2-(pyridin-3-ylmethoxy)phenyl]methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 132772361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).