2-(2-chlorophenoxy)-1-[4-(pyridine-4-carbonyl)piperazin-1-yl]ethanone

C18H18ClN3O3 — CID 110366185

IUPAC2-(2-chlorophenoxy)-1-[4-(pyridine-4-carbonyl)piperazin-1-yl]ethanone
SMILESO=C(COc1ccccc1Cl)N1CCN(C(=O)c2ccncc2)CC1
InChIInChI=1S/C18H18ClN3O3/c19-15-3-1-2-4-16(15)25-13-17(23)21-9-11-22(12-10-21)18(24)14-5-7-20-8-6-14/h1-8H,9-13H2
InChIKeyBJHUOSMCELOTPM-UHFFFAOYSA-N
MW359.81 g/mol
LogP2.10
Rot. Bonds4

About 2-(2-chlorophenoxy)-1-[4-(pyridine-4-carbonyl)piperazin-1-yl]ethanone

2-(2-chlorophenoxy)-1-[4-(pyridine-4-carbonyl)piperazin-1-yl]ethanone (PubChem CID 110366185) has the molecular formula C18H18ClN3O3 and a molecular weight of 359.81 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-1-[4-(pyridine-4-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-1-[4-(pyridine-4-carbonyl)piperazin-1-yl]ethanone
PubChem CID110366185
Molecular FormulaC18H18ClN3O3
Molecular Weight359.81 g/mol
Exact Mass359.10
IUPAC Name2-(2-chlorophenoxy)-1-[4-(pyridine-4-carbonyl)piperazin-1-yl]ethanone
SMILESO=C(COc1ccccc1Cl)N1CCN(C(=O)c2ccncc2)CC1
InChIInChI=1S/C18H18ClN3O3/c19-15-3-1-2-4-16(15)25-13-17(23)21-9-11-22(12-10-21)18(24)14-5-7-20-8-6-14/h1-8H,9-13H2
InChIKeyBJHUOSMCELOTPM-UHFFFAOYSA-N
XLogP2.10
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.81
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chlorophenoxy)-1-(4-pyridin-4-ylpiperazin-1-yl)ethanone
CID 9254024
1-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-(2-chlorophenoxy)ethanone
CID 39712498
2-(2-methylphenoxy)-1-[4-(pyridine-4-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110798910
2-(2-chlorophenoxy)-1-[4-(2-iodobenzoyl)piperazin-1-yl]ethanone
CID 55916292
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-(4-chlorobenzoyl)piperazin-1-yl]-2-(2-methylphenoxy)ethanone
CID 55552002
1-[4-(3,4-dichlorobenzoyl)piperazin-1-yl]-2-(2-ethylphenoxy)ethanone
CID 108533558
2-(2-chlorophenoxy)-1-(2-pyridin-4-ylmorpholin-4-yl)ethanone
CID 110102605
2-(2-chlorophenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 716264
1-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-(2-methylphenoxy)ethanone
CID 39712313
1-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-(2,4-dichlorophenoxy)ethanone
CID 39711810

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-1-[4-(pyridine-4-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(2-chlorophenoxy)-1-[4-(pyridine-4-carbonyl)piperazin-1-yl]ethanone (CID 110366185) is 2-(2-chlorophenoxy)-1-[4-(pyridine-4-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(2-chlorophenoxy)-1-[4-(pyridine-4-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(2-chlorophenoxy)-1-[4-(pyridine-4-carbonyl)piperazin-1-yl]ethanone is O=C(COc1ccccc1Cl)N1CCN(C(=O)c2ccncc2)CC1.
What is the InChIKey of 2-(2-chlorophenoxy)-1-[4-(pyridine-4-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is BJHUOSMCELOTPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O3/c19-15-3-1-2-4-16(15)25-13-17(23)21-9-11-22(12-10-21)18(24)14-5-7-20-8-6-14/h1-8H,9-13H2.
What are the key properties of 2-(2-chlorophenoxy)-1-[4-(pyridine-4-carbonyl)piperazin-1-yl]ethanone?
2-(2-chlorophenoxy)-1-[4-(pyridine-4-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 359.81 g/mol, XLogP of 2.10, 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-(pyridine-4-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 110366185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).