[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-pyridin-3-ylmethanone

C19H22N2O4 — CID 56796144

IUPAC[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-pyridin-3-ylmethanone
SMILESCOc1cccc(OC)c1OC1CCN(C(=O)c2cccnc2)CC1
InChIInChI=1S/C19H22N2O4/c1-23-16-6-3-7-17(24-2)18(16)25-15-8-11-21(12-9-15)19(22)14-5-4-10-20-13-14/h3-7,10,13,15H,8-9,11-12H2,1-2H3
InChIKeyLPOZBBCHWWVAGO-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.78
Rot. Bonds5

About [4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-pyridin-3-ylmethanone

[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-pyridin-3-ylmethanone (PubChem CID 56796144) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is [4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-pyridin-3-ylmethanone
PubChem CID56796144
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-pyridin-3-ylmethanone
SMILESCOc1cccc(OC)c1OC1CCN(C(=O)c2cccnc2)CC1
InChIInChI=1S/C19H22N2O4/c1-23-16-6-3-7-17(24-2)18(16)25-15-8-11-21(12-9-15)19(22)14-5-4-10-20-13-14/h3-7,10,13,15H,8-9,11-12H2,1-2H3
InChIKeyLPOZBBCHWWVAGO-UHFFFAOYSA-N
XLogP2.78
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-pyridin-3-yloxypiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 90565963
2,6-dimethoxy-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]benzamide
CID 108549740
[4-(3-methylphenoxy)piperidin-1-yl]-pyridin-3-ylmethanone
CID 95811353
[4-[2-[4-(methoxymethyl)piperidine-1-carbonyl]phenoxy]piperidin-1-yl]-pyridin-3-ylmethanone
CID 42123110
[4-(3-ethylphenoxy)piperidin-1-yl]-pyridin-3-ylmethanone
CID 84513638
[4-[(2,3-dimethoxyphenyl)methyl]piperazin-1-yl]-pyridin-3-ylmethanone
CID 828762
[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-[(1R,2R)-2-methylcyclopropyl]methanone
CID 95573565
(4-fluoropiperidin-1-yl)-pyridin-3-ylmethanone
CID 150696190
(3-methoxyphenyl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone
CID 712550
[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 56797957
2-[4-(2,6-dimethoxyphenoxy)piperidine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 120975654
[(3S)-3-methoxypiperidin-1-yl]-[4-[1-(pyridine-3-carbonyl)piperidin-4-yl]oxyphenyl]methanone
CID 42147776

Frequently Asked Questions

What is the IUPAC name of [4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-pyridin-3-ylmethanone?
The IUPAC name of [4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-pyridin-3-ylmethanone (CID 56796144) is [4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-pyridin-3-ylmethanone is COc1cccc(OC)c1OC1CCN(C(=O)c2cccnc2)CC1.
What is the InChIKey of [4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-pyridin-3-ylmethanone?
The InChIKey is LPOZBBCHWWVAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-23-16-6-3-7-17(24-2)18(16)25-15-8-11-21(12-9-15)19(22)14-5-4-10-20-13-14/h3-7,10,13,15H,8-9,11-12H2,1-2H3.
What are the key properties of [4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-pyridin-3-ylmethanone?
[4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-pyridin-3-ylmethanone has a molecular weight of 342.40 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,6-dimethoxyphenoxy)piperidin-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 56796144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).