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

C19H18Cl2N2O3 — CID 39712498

IUPAC1-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-(2-chlorophenoxy)ethanone
SMILESO=C(COc1ccccc1Cl)N1CCN(C(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C19H18Cl2N2O3/c20-15-6-2-1-5-14(15)19(25)23-11-9-22(10-12-23)18(24)13-26-17-8-4-3-7-16(17)21/h1-8H,9-13H2
InChIKeyMRMQXRGDXNLAGN-UHFFFAOYSA-N
MW393.27 g/mol
LogP3.36
Rot. Bonds4

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

1-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-(2-chlorophenoxy)ethanone (PubChem CID 39712498) has the molecular formula C19H18Cl2N2O3 and a molecular weight of 393.27 g/mol. Its IUPAC name is 1-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-(2-chlorophenoxy)ethanone.

Molecular Properties

Compound Name1-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-(2-chlorophenoxy)ethanone
PubChem CID39712498
Molecular FormulaC19H18Cl2N2O3
Molecular Weight393.27 g/mol
Exact Mass392.07
IUPAC Name1-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-(2-chlorophenoxy)ethanone
SMILESO=C(COc1ccccc1Cl)N1CCN(C(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C19H18Cl2N2O3/c20-15-6-2-1-5-14(15)19(25)23-11-9-22(10-12-23)18(24)13-26-17-8-4-3-7-16(17)21/h1-8H,9-13H2
InChIKeyMRMQXRGDXNLAGN-UHFFFAOYSA-N
XLogP3.36
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.27
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenoxy)-1-[4-(2-iodobenzoyl)piperazin-1-yl]ethanone
CID 55916292
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
2-(2-chlorophenoxy)-1-[4-(pyridine-4-carbonyl)piperazin-1-yl]ethanone
CID 110366185
2-(2-chlorophenoxy)-1-morpholin-4-ylethanone
CID 905479
1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-2-(2-hydroxyphenoxy)ethanone
CID 2050578
1-[4-[2-(2-chlorophenoxy)acetyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110366169
2-(2,4-dichlorophenoxy)-1-[4-(2-methylbenzoyl)piperazin-1-yl]ethanone
CID 108536091
2-(2-chlorophenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 716264
2-(2-chlorophenoxy)-1-(4-pyridin-4-ylpiperazin-1-yl)ethanone
CID 9254024
2-(2-chlorophenoxy)-1-[4-(2-phenoxyethyl)piperazin-1-yl]ethanone
CID 55361413
2-[4-(2-naphthalen-1-yloxyacetyl)piperazine-1-carbonyl]benzoic acid
CID 2050442

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-(2-chlorophenoxy)ethanone?
The IUPAC name of 1-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-(2-chlorophenoxy)ethanone (CID 39712498) is 1-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-(2-chlorophenoxy)ethanone.
What is the SMILES notation for 1-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-(2-chlorophenoxy)ethanone?
The canonical SMILES for 1-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-(2-chlorophenoxy)ethanone is O=C(COc1ccccc1Cl)N1CCN(C(=O)c2ccccc2Cl)CC1.
What is the InChIKey of 1-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-(2-chlorophenoxy)ethanone?
The InChIKey is MRMQXRGDXNLAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N2O3/c20-15-6-2-1-5-14(15)19(25)23-11-9-22(10-12-23)18(24)13-26-17-8-4-3-7-16(17)21/h1-8H,9-13H2.
What are the key properties of 1-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-(2-chlorophenoxy)ethanone?
1-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-(2-chlorophenoxy)ethanone has a molecular weight of 393.27 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-(2-chlorophenoxy)ethanone is sourced from PubChem (CID 39712498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).