2-(4-propan-2-ylmorpholin-2-yl)-1-(4-pyridin-4-yloxypiperidin-1-yl)ethanone

C19H29N3O3 — CID 118781326

IUPAC2-(4-propan-2-ylmorpholin-2-yl)-1-(4-pyridin-4-yloxypiperidin-1-yl)ethanone
SMILESCC(C)N1CCOC(CC(=O)N2CCC(Oc3ccncc3)CC2)C1
InChIInChI=1S/C19H29N3O3/c1-15(2)22-11-12-24-18(14-22)13-19(23)21-9-5-17(6-10-21)25-16-3-7-20-8-4-16/h3-4,7-8,15,17-18H,5-6,9-14H2,1-2H3
InChIKeyOMSWSEXIYZUSJC-UHFFFAOYSA-N
MW347.46 g/mol
LogP1.95
Rot. Bonds5

About 2-(4-propan-2-ylmorpholin-2-yl)-1-(4-pyridin-4-yloxypiperidin-1-yl)ethanone

2-(4-propan-2-ylmorpholin-2-yl)-1-(4-pyridin-4-yloxypiperidin-1-yl)ethanone (PubChem CID 118781326) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is 2-(4-propan-2-ylmorpholin-2-yl)-1-(4-pyridin-4-yloxypiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-propan-2-ylmorpholin-2-yl)-1-(4-pyridin-4-yloxypiperidin-1-yl)ethanone
PubChem CID118781326
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name2-(4-propan-2-ylmorpholin-2-yl)-1-(4-pyridin-4-yloxypiperidin-1-yl)ethanone
SMILESCC(C)N1CCOC(CC(=O)N2CCC(Oc3ccncc3)CC2)C1
InChIInChI=1S/C19H29N3O3/c1-15(2)22-11-12-24-18(14-22)13-19(23)21-9-5-17(6-10-21)25-16-3-7-20-8-4-16/h3-4,7-8,15,17-18H,5-6,9-14H2,1-2H3
InChIKeyOMSWSEXIYZUSJC-UHFFFAOYSA-N
XLogP1.95
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(2-methylphenoxy)piperidin-1-yl]-2-(4-propan-2-ylmorpholin-2-yl)ethanone
CID 70772622
1-[3-(3-ethylphenoxy)azetidin-1-yl]-2-[(2R)-4-propan-2-ylmorpholin-2-yl]ethanone
CID 97112522
2-(4-propan-2-ylsulfanylphenyl)-1-(4-pyridin-4-yloxypiperidin-1-yl)ethanone
CID 91815931
oxan-4-yl 3-pyridin-4-yloxypyrrolidine-1-carboxylate
CID 121017457
1-(4-methylphenyl)-4-[2-(4-propan-2-ylmorpholin-2-yl)acetyl]piperazin-2-one
CID 70744765
1-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]-2-(4-propan-2-ylmorpholin-2-yl)ethanone
CID 70718975
2,2-dimethyl-1-[(3R)-3-pyridin-4-yloxypyrrolidin-1-yl]propan-1-one
CID 124568628
2-(oxolan-2-yl)-1-(3-phenoxyazetidin-1-yl)ethanone
CID 141336807
4-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzoic acid
CID 64533273
2-phenyl-1-(4-pyridin-4-yloxypiperidin-1-yl)butan-1-one
CID 91815923
2-(2-phenyl-1,3-thiazol-4-yl)-1-(4-pyridin-4-yloxypiperidin-1-yl)ethanone
CID 166104722
2-cyclopentylsulfanyl-1-[4-(4-pyridin-4-yloxypiperidin-1-yl)piperidin-1-yl]ethanone
CID 90617346

Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylmorpholin-2-yl)-1-(4-pyridin-4-yloxypiperidin-1-yl)ethanone?
The IUPAC name of 2-(4-propan-2-ylmorpholin-2-yl)-1-(4-pyridin-4-yloxypiperidin-1-yl)ethanone (CID 118781326) is 2-(4-propan-2-ylmorpholin-2-yl)-1-(4-pyridin-4-yloxypiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(4-propan-2-ylmorpholin-2-yl)-1-(4-pyridin-4-yloxypiperidin-1-yl)ethanone?
The canonical SMILES for 2-(4-propan-2-ylmorpholin-2-yl)-1-(4-pyridin-4-yloxypiperidin-1-yl)ethanone is CC(C)N1CCOC(CC(=O)N2CCC(Oc3ccncc3)CC2)C1.
What is the InChIKey of 2-(4-propan-2-ylmorpholin-2-yl)-1-(4-pyridin-4-yloxypiperidin-1-yl)ethanone?
The InChIKey is OMSWSEXIYZUSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-15(2)22-11-12-24-18(14-22)13-19(23)21-9-5-17(6-10-21)25-16-3-7-20-8-4-16/h3-4,7-8,15,17-18H,5-6,9-14H2,1-2H3.
What are the key properties of 2-(4-propan-2-ylmorpholin-2-yl)-1-(4-pyridin-4-yloxypiperidin-1-yl)ethanone?
2-(4-propan-2-ylmorpholin-2-yl)-1-(4-pyridin-4-yloxypiperidin-1-yl)ethanone has a molecular weight of 347.46 g/mol, XLogP of 1.95, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylmorpholin-2-yl)-1-(4-pyridin-4-yloxypiperidin-1-yl)ethanone is sourced from PubChem (CID 118781326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).