2-[4-(5-methoxy-3-pyridinyl)naphthalen-1-yl]oxy-1-(4-methylpiperazin-1-yl)ethanone

C23H25N3O3 — CID 172671480

IUPAC2-[4-(5-methoxy-3-pyridinyl)naphthalen-1-yl]oxy-1-(4-methylpiperazin-1-yl)ethanone
SMILESCOc1cncc(-c2ccc(OCC(=O)N3CCN(C)CC3)c3ccccc23)c1
InChIInChI=1S/C23H25N3O3/c1-25-9-11-26(12-10-25)23(27)16-29-22-8-7-19(20-5-3-4-6-21(20)22)17-13-18(28-2)15-24-14-17/h3-8,13-15H,9-12,16H2,1-2H3
InChIKeyLTXGVXFNJSYOBT-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.06
Rot. Bonds5

About 2-[4-(5-methoxy-3-pyridinyl)naphthalen-1-yl]oxy-1-(4-methylpiperazin-1-yl)ethanone

2-[4-(5-methoxy-3-pyridinyl)naphthalen-1-yl]oxy-1-(4-methylpiperazin-1-yl)ethanone (PubChem CID 172671480) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 2-[4-(5-methoxy-3-pyridinyl)naphthalen-1-yl]oxy-1-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[4-(5-methoxy-3-pyridinyl)naphthalen-1-yl]oxy-1-(4-methylpiperazin-1-yl)ethanone
PubChem CID172671480
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name2-[4-(5-methoxy-3-pyridinyl)naphthalen-1-yl]oxy-1-(4-methylpiperazin-1-yl)ethanone
SMILESCOc1cncc(-c2ccc(OCC(=O)N3CCN(C)CC3)c3ccccc23)c1
InChIInChI=1S/C23H25N3O3/c1-25-9-11-26(12-10-25)23(27)16-29-22-8-7-19(20-5-3-4-6-21(20)22)17-13-18(28-2)15-24-14-17/h3-8,13-15H,9-12,16H2,1-2H3
InChIKeyLTXGVXFNJSYOBT-UHFFFAOYSA-N
XLogP3.06
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[4-(5-methoxy-3-pyridinyl)naphthalen-1-yl]oxy-1-(4-methylpiperazin-1-yl)ethanone with MolForge

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Related Compounds

1-methyl-4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]quinolin-2-one
CID 6622311
3-(4-methoxyphenyl)-1-[4-(2-naphthalen-1-yloxyacetyl)piperazin-1-yl]propan-1-one
CID 112823833
2-(2-iodophenoxy)-1-(4-methylpiperazin-1-yl)ethanone
CID 61400060
2-(3-methoxyphenoxy)-1-[4-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 122343448
2-[2-(hydroxymethyl)-4-methoxyphenoxy]-1-pyrrolidin-1-ylethanone
CID 43268016
2-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-1-(4-methylpiperazin-1-yl)ethanone
CID 46266568
2-[4-(methylamino)phenoxy]-1-(4-methylpiperazin-1-yl)ethanone
CID 54909269
3-methyl-4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]benzoic acid
CID 107673791
1-(4-methylpiperazin-1-yl)-2-(1H-pyrrolo[2,3-c]pyridin-3-yloxy)ethanone
CID 141038603
2-(4-chloronaphthalen-1-yl)oxy-1-pyrrolidin-1-ylethanone
CID 112779040
3-fluoro-4-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]benzoic acid
CID 107689861
2-(2-methoxyphenoxy)-1-[4-[6-(4-methoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 90516931

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-methoxy-3-pyridinyl)naphthalen-1-yl]oxy-1-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[4-(5-methoxy-3-pyridinyl)naphthalen-1-yl]oxy-1-(4-methylpiperazin-1-yl)ethanone (CID 172671480) is 2-[4-(5-methoxy-3-pyridinyl)naphthalen-1-yl]oxy-1-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[4-(5-methoxy-3-pyridinyl)naphthalen-1-yl]oxy-1-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[4-(5-methoxy-3-pyridinyl)naphthalen-1-yl]oxy-1-(4-methylpiperazin-1-yl)ethanone is COc1cncc(-c2ccc(OCC(=O)N3CCN(C)CC3)c3ccccc23)c1.
What is the InChIKey of 2-[4-(5-methoxy-3-pyridinyl)naphthalen-1-yl]oxy-1-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is LTXGVXFNJSYOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-25-9-11-26(12-10-25)23(27)16-29-22-8-7-19(20-5-3-4-6-21(20)22)17-13-18(28-2)15-24-14-17/h3-8,13-15H,9-12,16H2,1-2H3.
What are the key properties of 2-[4-(5-methoxy-3-pyridinyl)naphthalen-1-yl]oxy-1-(4-methylpiperazin-1-yl)ethanone?
2-[4-(5-methoxy-3-pyridinyl)naphthalen-1-yl]oxy-1-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 391.47 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-methoxy-3-pyridinyl)naphthalen-1-yl]oxy-1-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 172671480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).