4-[2-(2,4-dichlorophenoxy)acetyl]-1-pyridin-3-ylpiperazin-2-one

C17H15Cl2N3O3 — CID 126855630

IUPAC4-[2-(2,4-dichlorophenoxy)acetyl]-1-pyridin-3-ylpiperazin-2-one
SMILESO=C(COc1ccc(Cl)cc1Cl)N1CCN(c2cccnc2)C(=O)C1
InChIInChI=1S/C17H15Cl2N3O3/c18-12-3-4-15(14(19)8-12)25-11-17(24)21-6-7-22(16(23)10-21)13-2-1-5-20-9-13/h1-5,8-9H,6-7,10-11H2
InChIKeyAGZGEUOECLRZHZ-UHFFFAOYSA-N
MW380.23 g/mol
LogP2.64
Rot. Bonds4

About 4-[2-(2,4-dichlorophenoxy)acetyl]-1-pyridin-3-ylpiperazin-2-one

4-[2-(2,4-dichlorophenoxy)acetyl]-1-pyridin-3-ylpiperazin-2-one (PubChem CID 126855630) has the molecular formula C17H15Cl2N3O3 and a molecular weight of 380.23 g/mol. Its IUPAC name is 4-[2-(2,4-dichlorophenoxy)acetyl]-1-pyridin-3-ylpiperazin-2-one.

Molecular Properties

Compound Name4-[2-(2,4-dichlorophenoxy)acetyl]-1-pyridin-3-ylpiperazin-2-one
PubChem CID126855630
Molecular FormulaC17H15Cl2N3O3
Molecular Weight380.23 g/mol
Exact Mass379.05
IUPAC Name4-[2-(2,4-dichlorophenoxy)acetyl]-1-pyridin-3-ylpiperazin-2-one
SMILESO=C(COc1ccc(Cl)cc1Cl)N1CCN(c2cccnc2)C(=O)C1
InChIInChI=1S/C17H15Cl2N3O3/c18-12-3-4-15(14(19)8-12)25-11-17(24)21-6-7-22(16(23)10-21)13-2-1-5-20-9-13/h1-5,8-9H,6-7,10-11H2
InChIKeyAGZGEUOECLRZHZ-UHFFFAOYSA-N
XLogP2.64
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.23
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-4-[2-(2,4-dichlorophenoxy)acetyl]piperazin-2-one
CID 110720754
1-pyridin-3-yl-4-(2-pyridin-3-ylacetyl)piperazin-2-one
CID 126851696
4-[2-(4-chlorophenoxy)acetyl]-1-phenylpiperazin-2-one
CID 70710000
2-(2,4-dichlorophenoxy)-1-[4-[2-(2,4-dichlorophenoxy)acetyl]-1,4-diazepan-1-yl]ethanone
CID 1232742
1-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-(2,4-dichlorophenoxy)ethanone
CID 39711810
1-[4-(2-chlorophenyl)piperazin-1-yl]-2-(2,4-dichlorophenoxy)ethanone
CID 9013636
1-[4-[2-(2,4-dichlorophenoxy)acetyl]piperazin-1-yl]-3-sulfanylpropan-1-one
CID 71819731
1-(4-benzylpiperazin-1-yl)-2-(2,4-dichlorophenoxy)ethanone
CID 1187384
2-(2,4-dichlorophenoxy)-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethanone
CID 9228398
4-(pyridine-2-carbonyl)-1-pyridin-3-ylpiperazin-2-one
CID 126855620
1-[4-[2-(2,4-dichlorophenoxy)acetyl]piperazin-1-yl]-3-methylbutan-1-one
CID 110817700
1-[4-[2-(2,4-dichlorophenoxy)acetyl]piperazin-1-yl]-2,2,2-trifluoroethanone
CID 108533425

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,4-dichlorophenoxy)acetyl]-1-pyridin-3-ylpiperazin-2-one?
The IUPAC name of 4-[2-(2,4-dichlorophenoxy)acetyl]-1-pyridin-3-ylpiperazin-2-one (CID 126855630) is 4-[2-(2,4-dichlorophenoxy)acetyl]-1-pyridin-3-ylpiperazin-2-one.
What is the SMILES notation for 4-[2-(2,4-dichlorophenoxy)acetyl]-1-pyridin-3-ylpiperazin-2-one?
The canonical SMILES for 4-[2-(2,4-dichlorophenoxy)acetyl]-1-pyridin-3-ylpiperazin-2-one is O=C(COc1ccc(Cl)cc1Cl)N1CCN(c2cccnc2)C(=O)C1.
What is the InChIKey of 4-[2-(2,4-dichlorophenoxy)acetyl]-1-pyridin-3-ylpiperazin-2-one?
The InChIKey is AGZGEUOECLRZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N3O3/c18-12-3-4-15(14(19)8-12)25-11-17(24)21-6-7-22(16(23)10-21)13-2-1-5-20-9-13/h1-5,8-9H,6-7,10-11H2.
What are the key properties of 4-[2-(2,4-dichlorophenoxy)acetyl]-1-pyridin-3-ylpiperazin-2-one?
4-[2-(2,4-dichlorophenoxy)acetyl]-1-pyridin-3-ylpiperazin-2-one has a molecular weight of 380.23 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,4-dichlorophenoxy)acetyl]-1-pyridin-3-ylpiperazin-2-one is sourced from PubChem (CID 126855630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).