2-(2,5-dichlorophenoxy)-1-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]ethanone

C20H26Cl2N2O4 — CID 55672943

IUPAC2-(2,5-dichlorophenoxy)-1-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]ethanone
SMILESCC1CN(C(=O)C2CCN(C(=O)COc3cc(Cl)ccc3Cl)CC2)CC(C)O1
InChIInChI=1S/C20H26Cl2N2O4/c1-13-10-24(11-14(2)28-13)20(26)15-5-7-23(8-6-15)19(25)12-27-18-9-16(21)3-4-17(18)22/h3-4,9,13-15H,5-8,10-12H2,1-2H3
InChIKeyCSFDRBGESUJTQV-UHFFFAOYSA-N
MW429.34 g/mol
LogP3.25
Rot. Bonds4

About 2-(2,5-dichlorophenoxy)-1-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]ethanone

2-(2,5-dichlorophenoxy)-1-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]ethanone (PubChem CID 55672943) has the molecular formula C20H26Cl2N2O4 and a molecular weight of 429.34 g/mol. Its IUPAC name is 2-(2,5-dichlorophenoxy)-1-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2,5-dichlorophenoxy)-1-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]ethanone
PubChem CID55672943
Molecular FormulaC20H26Cl2N2O4
Molecular Weight429.34 g/mol
Exact Mass428.13
IUPAC Name2-(2,5-dichlorophenoxy)-1-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]ethanone
SMILESCC1CN(C(=O)C2CCN(C(=O)COc3cc(Cl)ccc3Cl)CC2)CC(C)O1
InChIInChI=1S/C20H26Cl2N2O4/c1-13-10-24(11-14(2)28-13)20(26)15-5-7-23(8-6-15)19(25)12-27-18-9-16(21)3-4-17(18)22/h3-4,9,13-15H,5-8,10-12H2,1-2H3
InChIKeyCSFDRBGESUJTQV-UHFFFAOYSA-N
XLogP3.25
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.34
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-(2,5-dichlorophenoxy)ethanone
CID 55466170
1-[2-(2,5-dichlorophenoxy)acetyl]-N,N-dimethylpiperidine-4-carboxamide
CID 99165656
2-(2,5-dichlorophenoxy)-1-(2-methylmorpholin-4-yl)ethanone
CID 110309986
1-[2-(2,5-dichlorophenoxy)acetyl]pyrrolidine-3-carboxylic acid
CID 63033015
2-(2-bromo-4-chlorophenoxy)-1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 2961166
3-(3,4-dichlorophenoxy)-1-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]propan-1-one
CID 55672944
2-(2-chlorophenoxy)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethanone
CID 973581
2-(2,5-dichlorophenoxy)-1-[4-(methylaminomethyl)piperidin-1-yl]ethanone;hydrochloride
CID 119542676
1-[2-(2,5-dichlorophenoxy)acetyl]-5-methylpiperidine-3-carboxylic acid
CID 122119009
2-(2,5-dichlorophenoxy)-1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethanone;hydrochloride
CID 119538465
1-[2-(2,5-dichlorophenoxy)acetyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 60547252
(3R)-1-[2-(2,5-dichlorophenoxy)acetyl]piperidine-3-carboxamide
CID 8578422

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenoxy)-1-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(2,5-dichlorophenoxy)-1-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]ethanone (CID 55672943) is 2-(2,5-dichlorophenoxy)-1-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2,5-dichlorophenoxy)-1-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2,5-dichlorophenoxy)-1-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]ethanone is CC1CN(C(=O)C2CCN(C(=O)COc3cc(Cl)ccc3Cl)CC2)CC(C)O1.
What is the InChIKey of 2-(2,5-dichlorophenoxy)-1-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]ethanone?
The InChIKey is CSFDRBGESUJTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26Cl2N2O4/c1-13-10-24(11-14(2)28-13)20(26)15-5-7-23(8-6-15)19(25)12-27-18-9-16(21)3-4-17(18)22/h3-4,9,13-15H,5-8,10-12H2,1-2H3.
What are the key properties of 2-(2,5-dichlorophenoxy)-1-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]ethanone?
2-(2,5-dichlorophenoxy)-1-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]ethanone has a molecular weight of 429.34 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenoxy)-1-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 55672943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).