3-cyclohexyl-1-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]propan-1-one

C18H26N2O2 — CID 122249467

IUPAC3-cyclohexyl-1-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]propan-1-one
SMILESCc1cccc(OC2CN(C(=O)CCC3CCCCC3)C2)n1
InChIInChI=1S/C18H26N2O2/c1-14-6-5-9-17(19-14)22-16-12-20(13-16)18(21)11-10-15-7-3-2-4-8-15/h5-6,9,15-16H,2-4,7-8,10-13H2,1H3
InChIKeyFAEXKEZWPLSEEB-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.34
Rot. Bonds5

About 3-cyclohexyl-1-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]propan-1-one

3-cyclohexyl-1-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]propan-1-one (PubChem CID 122249467) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 3-cyclohexyl-1-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-cyclohexyl-1-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]propan-1-one
PubChem CID122249467
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name3-cyclohexyl-1-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]propan-1-one
SMILESCc1cccc(OC2CN(C(=O)CCC3CCCCC3)C2)n1
InChIInChI=1S/C18H26N2O2/c1-14-6-5-9-17(19-14)22-16-12-20(13-16)18(21)11-10-15-7-3-2-4-8-15/h5-6,9,15-16H,2-4,7-8,10-13H2,1H3
InChIKeyFAEXKEZWPLSEEB-UHFFFAOYSA-N
XLogP3.34
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]butan-1-one
CID 122249453
4-bromo-1-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]butan-1-one
CID 122249599
3-cyclopentyl-1-(3-pyridin-2-yloxyazetidin-1-yl)propan-1-one
CID 122247079
1-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]ethanone
CID 122249452
2-(4-methoxyphenoxy)-1-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]ethanone
CID 122249548
2-(2-methylphenoxy)-1-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]ethanone
CID 122249550
3-[(6-methyl-2-pyridinyl)oxy]-N-propan-2-ylazetidine-1-carboxamide
CID 122249708
3-cyclopentyl-1-[(3R)-3-pyridazin-3-yloxypyrrolidin-1-yl]propan-1-one
CID 100620918
1-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]-2-propylpentan-1-one
CID 122249461
2,2-dimethyl-1-[(3R)-3-[(6-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]propan-1-one
CID 129418309
3-cyclopentyl-1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]propan-1-one
CID 90639054
3-cyclopentyl-1-[4-(2,6-dimethylpyrimidin-4-yl)oxypiperidin-1-yl]propan-1-one
CID 121160777

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]propan-1-one?
The IUPAC name of 3-cyclohexyl-1-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]propan-1-one (CID 122249467) is 3-cyclohexyl-1-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]propan-1-one.
What is the SMILES notation for 3-cyclohexyl-1-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]propan-1-one?
The canonical SMILES for 3-cyclohexyl-1-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]propan-1-one is Cc1cccc(OC2CN(C(=O)CCC3CCCCC3)C2)n1.
What is the InChIKey of 3-cyclohexyl-1-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]propan-1-one?
The InChIKey is FAEXKEZWPLSEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-14-6-5-9-17(19-14)22-16-12-20(13-16)18(21)11-10-15-7-3-2-4-8-15/h5-6,9,15-16H,2-4,7-8,10-13H2,1H3.
What are the key properties of 3-cyclohexyl-1-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]propan-1-one?
3-cyclohexyl-1-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]propan-1-one has a molecular weight of 302.42 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-[3-[(6-methyl-2-pyridinyl)oxy]azetidin-1-yl]propan-1-one is sourced from PubChem (CID 122249467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).