2-(2,4-dichlorophenoxy)-1-(4-pyrimidin-4-yloxypiperidin-1-yl)ethanone

C17H17Cl2N3O3 — CID 121161897

IUPAC2-(2,4-dichlorophenoxy)-1-(4-pyrimidin-4-yloxypiperidin-1-yl)ethanone
SMILESO=C(COc1ccc(Cl)cc1Cl)N1CCC(Oc2ccncn2)CC1
InChIInChI=1S/C17H17Cl2N3O3/c18-12-1-2-15(14(19)9-12)24-10-17(23)22-7-4-13(5-8-22)25-16-3-6-20-11-21-16/h1-3,6,9,11,13H,4-5,7-8,10H2
InChIKeyWWNOQEBNMKPNGO-UHFFFAOYSA-N
MW382.25 g/mol
LogP3.23
Rot. Bonds5

About 2-(2,4-dichlorophenoxy)-1-(4-pyrimidin-4-yloxypiperidin-1-yl)ethanone

2-(2,4-dichlorophenoxy)-1-(4-pyrimidin-4-yloxypiperidin-1-yl)ethanone (PubChem CID 121161897) has the molecular formula C17H17Cl2N3O3 and a molecular weight of 382.25 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-1-(4-pyrimidin-4-yloxypiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-1-(4-pyrimidin-4-yloxypiperidin-1-yl)ethanone
PubChem CID121161897
Molecular FormulaC17H17Cl2N3O3
Molecular Weight382.25 g/mol
Exact Mass381.06
IUPAC Name2-(2,4-dichlorophenoxy)-1-(4-pyrimidin-4-yloxypiperidin-1-yl)ethanone
SMILESO=C(COc1ccc(Cl)cc1Cl)N1CCC(Oc2ccncn2)CC1
InChIInChI=1S/C17H17Cl2N3O3/c18-12-1-2-15(14(19)9-12)24-10-17(23)22-7-4-13(5-8-22)25-16-3-6-20-11-21-16/h1-3,6,9,11,13H,4-5,7-8,10H2
InChIKeyWWNOQEBNMKPNGO-UHFFFAOYSA-N
XLogP3.23
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.25
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(2,4-dichlorophenoxy)-1-(4-pyrimidin-4-yloxypiperidin-1-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-chlorophenyl)-1-(4-pyrimidin-4-yloxypiperidin-1-yl)ethanone
CID 121161917
2-pyridin-3-yloxy-1-(4-pyrimidin-4-yloxypiperidin-1-yl)ethanone
CID 121161768
2-(3-methoxyphenoxy)-1-(4-pyrimidin-4-yloxypiperidin-1-yl)ethanone
CID 121161902
2-(2,4-dichlorophenoxy)-1-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]ethanone
CID 90617869
2-(2,4-dichlorophenoxy)-1-[4-[2-(2,4-dichlorophenoxy)acetyl]-1,4-diazepan-1-yl]ethanone
CID 1232742
1-(4-pyrimidin-4-yloxypiperidin-1-yl)-2-[3-(trifluoromethyl)phenoxy]ethanone
CID 121162129
1-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-2-(2,4-dichlorophenoxy)ethanone
CID 122243477
2-pyridin-4-ylsulfanyl-1-(4-pyrimidin-4-yloxypiperidin-1-yl)ethanone
CID 121162112
2-(2,4-dichlorophenoxy)-1-[4-(ethylaminomethyl)piperidin-1-yl]ethanone
CID 119644105
1-[(3aR,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-2-(2,4-dichlorophenoxy)ethanone
CID 166893420
1-[4-[2-(2,4-dichlorophenoxy)acetyl]piperazin-1-yl]-3-sulfanylpropan-1-one
CID 71819731
2-(2,4-dichlorophenoxy)-1-[3-(2-methoxypyrimidin-4-yl)oxypiperidin-1-yl]ethanone
CID 122261314

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-1-(4-pyrimidin-4-yloxypiperidin-1-yl)ethanone?
The IUPAC name of 2-(2,4-dichlorophenoxy)-1-(4-pyrimidin-4-yloxypiperidin-1-yl)ethanone (CID 121161897) is 2-(2,4-dichlorophenoxy)-1-(4-pyrimidin-4-yloxypiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-1-(4-pyrimidin-4-yloxypiperidin-1-yl)ethanone?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-1-(4-pyrimidin-4-yloxypiperidin-1-yl)ethanone is O=C(COc1ccc(Cl)cc1Cl)N1CCC(Oc2ccncn2)CC1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-1-(4-pyrimidin-4-yloxypiperidin-1-yl)ethanone?
The InChIKey is WWNOQEBNMKPNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N3O3/c18-12-1-2-15(14(19)9-12)24-10-17(23)22-7-4-13(5-8-22)25-16-3-6-20-11-21-16/h1-3,6,9,11,13H,4-5,7-8,10H2.
What are the key properties of 2-(2,4-dichlorophenoxy)-1-(4-pyrimidin-4-yloxypiperidin-1-yl)ethanone?
2-(2,4-dichlorophenoxy)-1-(4-pyrimidin-4-yloxypiperidin-1-yl)ethanone has a molecular weight of 382.25 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-1-(4-pyrimidin-4-yloxypiperidin-1-yl)ethanone is sourced from PubChem (CID 121161897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).