2-(2-chlorophenoxy)-1-(4-pyridin-4-ylpiperazin-1-yl)ethanone

C17H18ClN3O2 — CID 9254024

IUPAC2-(2-chlorophenoxy)-1-(4-pyridin-4-ylpiperazin-1-yl)ethanone
SMILESO=C(COc1ccccc1Cl)N1CCN(c2ccncc2)CC1
InChIInChI=1S/C17H18ClN3O2/c18-15-3-1-2-4-16(15)23-13-17(22)21-11-9-20(10-12-21)14-5-7-19-8-6-14/h1-8H,9-13H2
InChIKeySIQSLTQRFYWNNS-UHFFFAOYSA-N
MW331.80 g/mol
LogP2.46
Rot. Bonds4

About 2-(2-chlorophenoxy)-1-(4-pyridin-4-ylpiperazin-1-yl)ethanone

2-(2-chlorophenoxy)-1-(4-pyridin-4-ylpiperazin-1-yl)ethanone (PubChem CID 9254024) has the molecular formula C17H18ClN3O2 and a molecular weight of 331.80 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-1-(4-pyridin-4-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-1-(4-pyridin-4-ylpiperazin-1-yl)ethanone
PubChem CID9254024
Molecular FormulaC17H18ClN3O2
Molecular Weight331.80 g/mol
Exact Mass331.11
IUPAC Name2-(2-chlorophenoxy)-1-(4-pyridin-4-ylpiperazin-1-yl)ethanone
SMILESO=C(COc1ccccc1Cl)N1CCN(c2ccncc2)CC1
InChIInChI=1S/C17H18ClN3O2/c18-15-3-1-2-4-16(15)23-13-17(22)21-11-9-20(10-12-21)14-5-7-19-8-6-14/h1-8H,9-13H2
InChIKeySIQSLTQRFYWNNS-UHFFFAOYSA-N
XLogP2.46
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chlorophenoxy)-1-[4-(pyridine-4-carbonyl)piperazin-1-yl]ethanone
CID 110366185
2-(2-chlorophenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 716264
2-(2-chlorophenoxy)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 2677305
2-(2-chlorophenoxy)-1-morpholin-4-ylethanone
CID 905479
1-[4-[2-(2-chlorophenoxy)acetyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110366169
1-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-(2-chlorophenoxy)ethanone
CID 39712498
2-(2-methoxyphenoxy)-1-[4-(4-pyrrolidin-1-ylphenyl)piperazin-1-yl]ethanone
CID 113078931
2-(4-bromo-2-fluorophenoxy)-1-(4-pyridin-4-ylpiperazin-1-yl)ethanone
CID 31564856
2-(2-methoxyphenoxy)-1-(4-phenylpiperazin-1-yl)ethanone
CID 823385
2-(2-chlorophenoxy)-1-(2-pyridin-4-ylmorpholin-4-yl)ethanone
CID 110102605
2-(3,5-dimethylphenoxy)-1-(4-pyridin-4-ylpiperazin-1-yl)ethanone
CID 9048338
2-(2,4-dichlorophenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 2304004

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-1-(4-pyridin-4-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(2-chlorophenoxy)-1-(4-pyridin-4-ylpiperazin-1-yl)ethanone (CID 9254024) is 2-(2-chlorophenoxy)-1-(4-pyridin-4-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(2-chlorophenoxy)-1-(4-pyridin-4-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(2-chlorophenoxy)-1-(4-pyridin-4-ylpiperazin-1-yl)ethanone is O=C(COc1ccccc1Cl)N1CCN(c2ccncc2)CC1.
What is the InChIKey of 2-(2-chlorophenoxy)-1-(4-pyridin-4-ylpiperazin-1-yl)ethanone?
The InChIKey is SIQSLTQRFYWNNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O2/c18-15-3-1-2-4-16(15)23-13-17(22)21-11-9-20(10-12-21)14-5-7-19-8-6-14/h1-8H,9-13H2.
What are the key properties of 2-(2-chlorophenoxy)-1-(4-pyridin-4-ylpiperazin-1-yl)ethanone?
2-(2-chlorophenoxy)-1-(4-pyridin-4-ylpiperazin-1-yl)ethanone has a molecular weight of 331.80 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-1-(4-pyridin-4-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 9254024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).