[4-[(4-methoxyphenoxy)methyl]phenyl]-(2-methylpiperidin-1-yl)methanone

C21H25NO3 — CID 122195788

IUPAC[4-[(4-methoxyphenoxy)methyl]phenyl]-(2-methylpiperidin-1-yl)methanone
SMILESCOc1ccc(OCc2ccc(C(=O)N3CCCCC3C)cc2)cc1
InChIInChI=1S/C21H25NO3/c1-16-5-3-4-14-22(16)21(23)18-8-6-17(7-9-18)15-25-20-12-10-19(24-2)11-13-20/h6-13,16H,3-5,14-15H2,1-2H3
InChIKeyLJHGHYGSORULJP-UHFFFAOYSA-N
MW339.44 g/mol
LogP4.29
Rot. Bonds5

About [4-[(4-methoxyphenoxy)methyl]phenyl]-(2-methylpiperidin-1-yl)methanone

[4-[(4-methoxyphenoxy)methyl]phenyl]-(2-methylpiperidin-1-yl)methanone (PubChem CID 122195788) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is [4-[(4-methoxyphenoxy)methyl]phenyl]-(2-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-[(4-methoxyphenoxy)methyl]phenyl]-(2-methylpiperidin-1-yl)methanone
PubChem CID122195788
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC Name[4-[(4-methoxyphenoxy)methyl]phenyl]-(2-methylpiperidin-1-yl)methanone
SMILESCOc1ccc(OCc2ccc(C(=O)N3CCCCC3C)cc2)cc1
InChIInChI=1S/C21H25NO3/c1-16-5-3-4-14-22(16)21(23)18-8-6-17(7-9-18)15-25-20-12-10-19(24-2)11-13-20/h6-13,16H,3-5,14-15H2,1-2H3
InChIKeyLJHGHYGSORULJP-UHFFFAOYSA-N
XLogP4.29
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [4-[(4-methoxyphenoxy)methyl]phenyl]-(2-methylpiperidin-1-yl)methanone with MolForge

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Related Compounds

[4-[(4-methoxyphenoxy)methyl]phenyl]-(3-methylpiperidin-1-yl)methanone
CID 122195783
[3-[(4-ethoxyphenoxy)methyl]phenyl]-[(2R)-2-methylpiperidin-1-yl]methanone
CID 1012341
2-(4-methoxyphenoxy)-1-(2-methylpiperidin-1-yl)ethanone
CID 4541588
2-(4-methoxyphenyl)-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 176781017
1-(4-methoxyphenyl)-3-[4-[(2S)-2-methylpiperidine-1-carbonyl]anilino]propan-1-one
CID 7298536
1-(4-methoxyphenyl)-3-[4-(2-methylpiperidine-1-carbonyl)anilino]propan-1-one
CID 5295353
(2-ethylpiperidin-1-yl)-[4-(phenoxymethyl)phenyl]methanone
CID 55334521
(2-methylpiperidin-1-yl)-[4-(methylsulfonylmethyl)phenyl]methanone
CID 42889122
[4-(4-methoxybenzoyl)piperazin-1-yl]-[4-[(4-methylphenoxy)methyl]phenyl]methanone
CID 87055955
[(2S,4R)-4-hydroxy-2-methylpiperidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone
CID 99779198
[2-(1-aminoethyl)piperidin-1-yl]-[4-(phenoxymethyl)phenyl]methanone;hydrochloride
CID 119435796
[2-(bromomethyl)azepan-1-yl]-(4-methoxyphenyl)methanone
CID 116639403

Frequently Asked Questions

What is the IUPAC name of [4-[(4-methoxyphenoxy)methyl]phenyl]-(2-methylpiperidin-1-yl)methanone?
The IUPAC name of [4-[(4-methoxyphenoxy)methyl]phenyl]-(2-methylpiperidin-1-yl)methanone (CID 122195788) is [4-[(4-methoxyphenoxy)methyl]phenyl]-(2-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [4-[(4-methoxyphenoxy)methyl]phenyl]-(2-methylpiperidin-1-yl)methanone?
The canonical SMILES for [4-[(4-methoxyphenoxy)methyl]phenyl]-(2-methylpiperidin-1-yl)methanone is COc1ccc(OCc2ccc(C(=O)N3CCCCC3C)cc2)cc1.
What is the InChIKey of [4-[(4-methoxyphenoxy)methyl]phenyl]-(2-methylpiperidin-1-yl)methanone?
The InChIKey is LJHGHYGSORULJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3/c1-16-5-3-4-14-22(16)21(23)18-8-6-17(7-9-18)15-25-20-12-10-19(24-2)11-13-20/h6-13,16H,3-5,14-15H2,1-2H3.
What are the key properties of [4-[(4-methoxyphenoxy)methyl]phenyl]-(2-methylpiperidin-1-yl)methanone?
[4-[(4-methoxyphenoxy)methyl]phenyl]-(2-methylpiperidin-1-yl)methanone has a molecular weight of 339.44 g/mol, XLogP of 4.29, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-methoxyphenoxy)methyl]phenyl]-(2-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 122195788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).