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

C17H18ClN3O2 — CID 719964

IUPAC2-(4-chlorophenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
SMILESO=C(COc1ccc(Cl)cc1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C17H18ClN3O2/c18-14-4-6-15(7-5-14)23-13-17(22)21-11-9-20(10-12-21)16-3-1-2-8-19-16/h1-8H,9-13H2
InChIKeyCHMKQDBGHIJRTA-UHFFFAOYSA-N
MW331.80 g/mol
LogP2.46
Rot. Bonds4

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

2-(4-chlorophenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone (PubChem CID 719964) has the molecular formula C17H18ClN3O2 and a molecular weight of 331.80 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
PubChem CID719964
Molecular FormulaC17H18ClN3O2
Molecular Weight331.80 g/mol
Exact Mass331.11
IUPAC Name2-(4-chlorophenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
SMILESO=C(COc1ccc(Cl)cc1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C17H18ClN3O2/c18-14-4-6-15(7-5-14)23-13-17(22)21-11-9-20(10-12-21)16-3-1-2-8-19-16/h1-8H,9-13H2
InChIKeyCHMKQDBGHIJRTA-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

N-[(4-chlorophenoxy)methyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 108885377
1-(4-pyridin-2-ylpiperazin-1-yl)-2-(2,4,5-trichlorophenoxy)ethanone
CID 2953997
2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]pyridine-3-carboxylic acid
CID 110397190
2-(4-chlorophenoxy)-1-(5-pyridin-2-yl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl)ethanone
CID 154581755
2-[(4-chlorophenyl)methylsulfanyl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 78768459
2-(4-chlorophenoxy)-1-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanone
CID 78772499
N-[6-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-3-pyridinyl]benzamide
CID 42849984
2-(4-chlorophenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 51143811
2-(4-chlorophenoxy)-1-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 122279224
3-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]pyrazine-2-carbonitrile
CID 133283771
2-(3-nitrophenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 30834037
2-(4-ethoxyphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 52892178

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(4-chlorophenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone (CID 719964) is 2-(4-chlorophenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(4-chlorophenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(4-chlorophenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone is O=C(COc1ccc(Cl)cc1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 2-(4-chlorophenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The InChIKey is CHMKQDBGHIJRTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O2/c18-14-4-6-15(7-5-14)23-13-17(22)21-11-9-20(10-12-21)16-3-1-2-8-19-16/h1-8H,9-13H2.
What are the key properties of 2-(4-chlorophenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
2-(4-chlorophenoxy)-1-(4-pyridin-2-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-(4-chlorophenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 719964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).