1-[4-[2-(2,4-difluorophenoxy)acetyl]piperazin-1-yl]-2-morpholin-4-ylethanone

C18H23F2N3O4 — CID 55596207

IUPAC1-[4-[2-(2,4-difluorophenoxy)acetyl]piperazin-1-yl]-2-morpholin-4-ylethanone
SMILESO=C(COc1ccc(F)cc1F)N1CCN(C(=O)CN2CCOCC2)CC1
InChIInChI=1S/C18H23F2N3O4/c19-14-1-2-16(15(20)11-14)27-13-18(25)23-5-3-22(4-6-23)17(24)12-21-7-9-26-10-8-21/h1-2,11H,3-10,12-13H2
InChIKeyGEWCPXUMSWIDBC-UHFFFAOYSA-N
MW383.40 g/mol
LogP0.35
Rot. Bonds5

About 1-[4-[2-(2,4-difluorophenoxy)acetyl]piperazin-1-yl]-2-morpholin-4-ylethanone

1-[4-[2-(2,4-difluorophenoxy)acetyl]piperazin-1-yl]-2-morpholin-4-ylethanone (PubChem CID 55596207) has the molecular formula C18H23F2N3O4 and a molecular weight of 383.40 g/mol. Its IUPAC name is 1-[4-[2-(2,4-difluorophenoxy)acetyl]piperazin-1-yl]-2-morpholin-4-ylethanone.

Molecular Properties

Compound Name1-[4-[2-(2,4-difluorophenoxy)acetyl]piperazin-1-yl]-2-morpholin-4-ylethanone
PubChem CID55596207
Molecular FormulaC18H23F2N3O4
Molecular Weight383.40 g/mol
Exact Mass383.17
IUPAC Name1-[4-[2-(2,4-difluorophenoxy)acetyl]piperazin-1-yl]-2-morpholin-4-ylethanone
SMILESO=C(COc1ccc(F)cc1F)N1CCN(C(=O)CN2CCOCC2)CC1
InChIInChI=1S/C18H23F2N3O4/c19-14-1-2-16(15(20)11-14)27-13-18(25)23-5-3-22(4-6-23)17(24)12-21-7-9-26-10-8-21/h1-2,11H,3-10,12-13H2
InChIKeyGEWCPXUMSWIDBC-UHFFFAOYSA-N
XLogP0.35
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-difluorophenoxy)-1-morpholin-4-ylethanone
CID 17190869
2-(2,4-difluorophenoxy)-1-(4-phenylpiperazin-1-yl)ethanone
CID 17193919
2-(2-chloro-4-fluorophenoxy)-1-morpholin-4-ylethanone
CID 17190853
5-fluoro-2-(2-morpholin-4-yl-2-oxoethoxy)benzenesulfonamide
CID 82915954
2-[4-(aminomethyl)-2-fluorophenoxy]-1-morpholin-4-ylethanone
CID 107665226
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-morpholin-4-ylethanone
CID 110688043
N-(2,4-difluorophenyl)-4-(2-morpholin-4-yl-2-oxoethyl)piperazine-1-carboxamide
CID 17425435
3-(3-fluoro-4-methoxyphenyl)-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propan-1-one
CID 55496468
1-[4-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]piperazin-1-yl]-2-morpholin-4-ylethanone
CID 55496771
2-[1-(2,4-difluorophenyl)ethylamino]-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]ethanone
CID 112796891
(2R)-4-[2-(2,4-difluorophenoxy)acetyl]morpholine-2-carboxylic acid
CID 129366670
2-(2,4-difluorophenoxy)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 24629949

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(2,4-difluorophenoxy)acetyl]piperazin-1-yl]-2-morpholin-4-ylethanone?
The IUPAC name of 1-[4-[2-(2,4-difluorophenoxy)acetyl]piperazin-1-yl]-2-morpholin-4-ylethanone (CID 55596207) is 1-[4-[2-(2,4-difluorophenoxy)acetyl]piperazin-1-yl]-2-morpholin-4-ylethanone.
What is the SMILES notation for 1-[4-[2-(2,4-difluorophenoxy)acetyl]piperazin-1-yl]-2-morpholin-4-ylethanone?
The canonical SMILES for 1-[4-[2-(2,4-difluorophenoxy)acetyl]piperazin-1-yl]-2-morpholin-4-ylethanone is O=C(COc1ccc(F)cc1F)N1CCN(C(=O)CN2CCOCC2)CC1.
What is the InChIKey of 1-[4-[2-(2,4-difluorophenoxy)acetyl]piperazin-1-yl]-2-morpholin-4-ylethanone?
The InChIKey is GEWCPXUMSWIDBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F2N3O4/c19-14-1-2-16(15(20)11-14)27-13-18(25)23-5-3-22(4-6-23)17(24)12-21-7-9-26-10-8-21/h1-2,11H,3-10,12-13H2.
What are the key properties of 1-[4-[2-(2,4-difluorophenoxy)acetyl]piperazin-1-yl]-2-morpholin-4-ylethanone?
1-[4-[2-(2,4-difluorophenoxy)acetyl]piperazin-1-yl]-2-morpholin-4-ylethanone has a molecular weight of 383.40 g/mol, XLogP of 0.35, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(2,4-difluorophenoxy)acetyl]piperazin-1-yl]-2-morpholin-4-ylethanone is sourced from PubChem (CID 55596207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).