2-(4-chlorophenoxy)-1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]ethanone

C19H21ClN2O3 — CID 90566368

IUPAC2-(4-chlorophenoxy)-1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]ethanone
SMILESCc1ccc(OC2CCN(C(=O)COc3ccc(Cl)cc3)CC2)cn1
InChIInChI=1S/C19H21ClN2O3/c1-14-2-5-18(12-21-14)25-17-8-10-22(11-9-17)19(23)13-24-16-6-3-15(20)4-7-16/h2-7,12,17H,8-11,13H2,1H3
InChIKeyLUNCJHIHKKAHPE-UHFFFAOYSA-N
MW360.84 g/mol
LogP3.49
Rot. Bonds5

About 2-(4-chlorophenoxy)-1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]ethanone

2-(4-chlorophenoxy)-1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]ethanone (PubChem CID 90566368) has the molecular formula C19H21ClN2O3 and a molecular weight of 360.84 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]ethanone
PubChem CID90566368
Molecular FormulaC19H21ClN2O3
Molecular Weight360.84 g/mol
Exact Mass360.12
IUPAC Name2-(4-chlorophenoxy)-1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]ethanone
SMILESCc1ccc(OC2CCN(C(=O)COc3ccc(Cl)cc3)CC2)cn1
InChIInChI=1S/C19H21ClN2O3/c1-14-2-5-18(12-21-14)25-17-8-10-22(11-9-17)19(23)13-24-16-6-3-15(20)4-7-16/h2-7,12,17H,8-11,13H2,1H3
InChIKeyLUNCJHIHKKAHPE-UHFFFAOYSA-N
XLogP3.49
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenoxy)-1-(4-pyrimidin-2-yloxypiperidin-1-yl)ethanone
CID 90558704
1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]pentan-1-one
CID 90566283
1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]-2-pyrazol-1-ylethanone
CID 90566486
1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]-2-propylpentan-1-one
CID 90566288
1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-[(6-methyl-3-pyridinyl)oxy]ethanone
CID 95353267
(2-fluorophenyl)-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]methanone
CID 90566330
1-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-2-methoxyethanone
CID 108536476
2-(4-chlorophenoxy)-1-(4-cyclopropylidenepiperidin-1-yl)ethanone
CID 121186881
2-(4-chlorophenoxy)-1-(3-pyridazin-3-yloxypyrrolidin-1-yl)ethanone
CID 90638277
(E)-3-(2-chlorophenyl)-1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]prop-2-en-1-one
CID 90566244
1-[2-(4-chlorophenoxy)acetyl]-N-cyclopropylpiperidine-4-carboxamide
CID 113002538
(3,4-dimethylphenyl)-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]methanone
CID 90566313

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]ethanone?
The IUPAC name of 2-(4-chlorophenoxy)-1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]ethanone (CID 90566368) is 2-(4-chlorophenoxy)-1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-chlorophenoxy)-1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-chlorophenoxy)-1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]ethanone is Cc1ccc(OC2CCN(C(=O)COc3ccc(Cl)cc3)CC2)cn1.
What is the InChIKey of 2-(4-chlorophenoxy)-1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]ethanone?
The InChIKey is LUNCJHIHKKAHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3/c1-14-2-5-18(12-21-14)25-17-8-10-22(11-9-17)19(23)13-24-16-6-3-15(20)4-7-16/h2-7,12,17H,8-11,13H2,1H3.
What are the key properties of 2-(4-chlorophenoxy)-1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]ethanone?
2-(4-chlorophenoxy)-1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]ethanone has a molecular weight of 360.84 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]ethanone is sourced from PubChem (CID 90566368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).