2-[4-[2-(4-chlorophenyl)morpholine-4-carbonyl]phenoxy]-1-(2,6-dimethylpiperidin-1-yl)ethanone

C26H31ClN2O4 — CID 55948526

IUPAC2-[4-[2-(4-chlorophenyl)morpholine-4-carbonyl]phenoxy]-1-(2,6-dimethylpiperidin-1-yl)ethanone
SMILESCC1CCCC(C)N1C(=O)COc1ccc(C(=O)N2CCOC(c3ccc(Cl)cc3)C2)cc1
InChIInChI=1S/C26H31ClN2O4/c1-18-4-3-5-19(2)29(18)25(30)17-33-23-12-8-21(9-13-23)26(31)28-14-15-32-24(16-28)20-6-10-22(27)11-7-20/h6-13,18-19,24H,3-5,14-17H2,1-2H3
InChIKeyWYOLXYJHAJBDDM-UHFFFAOYSA-N
MW471.00 g/mol
LogP4.72
Rot. Bonds5

About 2-[4-[2-(4-chlorophenyl)morpholine-4-carbonyl]phenoxy]-1-(2,6-dimethylpiperidin-1-yl)ethanone

2-[4-[2-(4-chlorophenyl)morpholine-4-carbonyl]phenoxy]-1-(2,6-dimethylpiperidin-1-yl)ethanone (PubChem CID 55948526) has the molecular formula C26H31ClN2O4 and a molecular weight of 471.00 g/mol. Its IUPAC name is 2-[4-[2-(4-chlorophenyl)morpholine-4-carbonyl]phenoxy]-1-(2,6-dimethylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[4-[2-(4-chlorophenyl)morpholine-4-carbonyl]phenoxy]-1-(2,6-dimethylpiperidin-1-yl)ethanone
PubChem CID55948526
Molecular FormulaC26H31ClN2O4
Molecular Weight471.00 g/mol
Exact Mass470.20
IUPAC Name2-[4-[2-(4-chlorophenyl)morpholine-4-carbonyl]phenoxy]-1-(2,6-dimethylpiperidin-1-yl)ethanone
SMILESCC1CCCC(C)N1C(=O)COc1ccc(C(=O)N2CCOC(c3ccc(Cl)cc3)C2)cc1
InChIInChI=1S/C26H31ClN2O4/c1-18-4-3-5-19(2)29(18)25(30)17-33-23-12-8-21(9-13-23)26(31)28-14-15-32-24(16-28)20-6-10-22(27)11-7-20/h6-13,18-19,24H,3-5,14-17H2,1-2H3
InChIKeyWYOLXYJHAJBDDM-UHFFFAOYSA-N
XLogP4.72
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.00
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-chlorophenyl)morpholin-4-yl]-2-(4-propoxyphenoxy)ethanone
CID 60552824
2-[4-(3-aminopiperidine-1-carbonyl)phenoxy]-1-(2,6-dimethylpiperidin-1-yl)ethanone
CID 119377667
[2-(4-chlorophenyl)morpholin-4-yl]-[4-(phenoxymethyl)phenyl]methanone
CID 55947511
2-(4-chlorophenoxy)-1-(2-methylmorpholin-4-yl)ethanone
CID 52985807
1-(2,6-dimethylpiperidin-1-yl)-2-[4-(piperazine-1-carbonyl)phenoxy]ethanone;hydrochloride
CID 119400512
2-[4-(4-aminopiperidine-1-carbonyl)phenoxy]-1-(2,6-dimethylpiperidin-1-yl)ethanone;hydrochloride
CID 119373285
(4-ethoxyphenyl)-[2-(4-methylphenyl)morpholin-4-yl]methanone
CID 121134773
1-(2,6-dimethylpiperidin-1-yl)-2-[4-[4-(methylamino)piperidine-1-carbonyl]phenoxy]ethanone
CID 119560215
1-(2,6-dimethylpiperidin-1-yl)-2-[4-[4-(methylamino)piperidine-1-carbonyl]phenoxy]ethanone;hydrochloride
CID 119560214
1-[4-[4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzoyl]piperazin-1-yl]-4-methylpentan-1-one
CID 55921603
[2-(4-chlorophenyl)morpholin-4-yl]-[3-(2-methylpropoxy)phenyl]methanone
CID 55982427
1-(2,6-dimethylpiperidin-1-yl)-2-[4-[4-(2-methylpropyl)piperazine-1-carbonyl]phenoxy]ethanone
CID 55339075

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-chlorophenyl)morpholine-4-carbonyl]phenoxy]-1-(2,6-dimethylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[4-[2-(4-chlorophenyl)morpholine-4-carbonyl]phenoxy]-1-(2,6-dimethylpiperidin-1-yl)ethanone (CID 55948526) is 2-[4-[2-(4-chlorophenyl)morpholine-4-carbonyl]phenoxy]-1-(2,6-dimethylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[4-[2-(4-chlorophenyl)morpholine-4-carbonyl]phenoxy]-1-(2,6-dimethylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[4-[2-(4-chlorophenyl)morpholine-4-carbonyl]phenoxy]-1-(2,6-dimethylpiperidin-1-yl)ethanone is CC1CCCC(C)N1C(=O)COc1ccc(C(=O)N2CCOC(c3ccc(Cl)cc3)C2)cc1.
What is the InChIKey of 2-[4-[2-(4-chlorophenyl)morpholine-4-carbonyl]phenoxy]-1-(2,6-dimethylpiperidin-1-yl)ethanone?
The InChIKey is WYOLXYJHAJBDDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31ClN2O4/c1-18-4-3-5-19(2)29(18)25(30)17-33-23-12-8-21(9-13-23)26(31)28-14-15-32-24(16-28)20-6-10-22(27)11-7-20/h6-13,18-19,24H,3-5,14-17H2,1-2H3.
What are the key properties of 2-[4-[2-(4-chlorophenyl)morpholine-4-carbonyl]phenoxy]-1-(2,6-dimethylpiperidin-1-yl)ethanone?
2-[4-[2-(4-chlorophenyl)morpholine-4-carbonyl]phenoxy]-1-(2,6-dimethylpiperidin-1-yl)ethanone has a molecular weight of 471.00 g/mol, XLogP of 4.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-chlorophenyl)morpholine-4-carbonyl]phenoxy]-1-(2,6-dimethylpiperidin-1-yl)ethanone is sourced from PubChem (CID 55948526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).