1-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-2-(2-hydroxyphenyl)ethanone

C19H18Cl2N2O3 — CID 60615923

IUPAC1-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-2-(2-hydroxyphenyl)ethanone
SMILESO=C(Cc1ccccc1O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C19H18Cl2N2O3/c20-15-9-14(10-16(21)12-15)19(26)23-7-5-22(6-8-23)18(25)11-13-3-1-2-4-17(13)24/h1-4,9-10,12,24H,5-8,11H2
InChIKeyYZAJRFJNPDASRN-UHFFFAOYSA-N
MW393.27 g/mol
LogP3.23
Rot. Bonds3

About 1-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-2-(2-hydroxyphenyl)ethanone

1-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-2-(2-hydroxyphenyl)ethanone (PubChem CID 60615923) has the molecular formula C19H18Cl2N2O3 and a molecular weight of 393.27 g/mol. Its IUPAC name is 1-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-2-(2-hydroxyphenyl)ethanone.

Molecular Properties

Compound Name1-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-2-(2-hydroxyphenyl)ethanone
PubChem CID60615923
Molecular FormulaC19H18Cl2N2O3
Molecular Weight393.27 g/mol
Exact Mass392.07
IUPAC Name1-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-2-(2-hydroxyphenyl)ethanone
SMILESO=C(Cc1ccccc1O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C19H18Cl2N2O3/c20-15-9-14(10-16(21)12-15)19(26)23-7-5-22(6-8-23)18(25)11-13-3-1-2-4-17(13)24/h1-4,9-10,12,24H,5-8,11H2
InChIKeyYZAJRFJNPDASRN-UHFFFAOYSA-N
XLogP3.23
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.27
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]propan-1-one
CID 119279427
(3,5-dichlorophenyl)-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 27756291
1-(4-acetyl-1,4-diazepan-1-yl)-2-(2-hydroxyphenyl)ethanone
CID 78990769
1-[4-(3-chlorobenzoyl)piperazin-1-yl]-2-(2-nitrophenyl)ethanone
CID 33135870
1-[4-(3,5-dihydroxybenzoyl)piperazin-1-yl]-2-phenylethanone
CID 108534758
2-(2-chlorophenyl)-1-[4-(furan-3-carbonyl)piperazin-1-yl]ethanone
CID 32528222
1-[4-(3-aminobenzoyl)piperazin-1-yl]-2-(2-chlorophenyl)ethanone;hydrochloride
CID 119754548
[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 46413225
[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 110495911
2-(5-bromo-2-chlorophenyl)-1-[4-(3-chlorobenzoyl)piperazin-1-yl]ethanone
CID 166358982
1-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-3-(4-fluorophenyl)propan-1-one
CID 55556424
1-[4-[4-(aminomethyl)benzoyl]piperazin-1-yl]-2-(2-chlorophenyl)ethanone
CID 119306674

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-2-(2-hydroxyphenyl)ethanone?
The IUPAC name of 1-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-2-(2-hydroxyphenyl)ethanone (CID 60615923) is 1-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-2-(2-hydroxyphenyl)ethanone.
What is the SMILES notation for 1-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-2-(2-hydroxyphenyl)ethanone?
The canonical SMILES for 1-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-2-(2-hydroxyphenyl)ethanone is O=C(Cc1ccccc1O)N1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1.
What is the InChIKey of 1-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-2-(2-hydroxyphenyl)ethanone?
The InChIKey is YZAJRFJNPDASRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N2O3/c20-15-9-14(10-16(21)12-15)19(26)23-7-5-22(6-8-23)18(25)11-13-3-1-2-4-17(13)24/h1-4,9-10,12,24H,5-8,11H2.
What are the key properties of 1-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-2-(2-hydroxyphenyl)ethanone?
1-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-2-(2-hydroxyphenyl)ethanone has a molecular weight of 393.27 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-2-(2-hydroxyphenyl)ethanone is sourced from PubChem (CID 60615923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).