1-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-methyl-2-phenoxypropan-1-one

C21H23ClN2O3 — CID 110346370

IUPAC1-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-methyl-2-phenoxypropan-1-one
SMILESCC(C)(Oc1ccccc1)C(=O)N1CCN(C(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H23ClN2O3/c1-21(2,27-18-6-4-3-5-7-18)20(26)24-14-12-23(13-15-24)19(25)16-8-10-17(22)11-9-16/h3-11H,12-15H2,1-2H3
InChIKeyJZALPLVIXZSLMC-UHFFFAOYSA-N
MW386.88 g/mol
LogP3.48
Rot. Bonds4

About 1-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-methyl-2-phenoxypropan-1-one

1-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-methyl-2-phenoxypropan-1-one (PubChem CID 110346370) has the molecular formula C21H23ClN2O3 and a molecular weight of 386.88 g/mol. Its IUPAC name is 1-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-methyl-2-phenoxypropan-1-one.

Molecular Properties

Compound Name1-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-methyl-2-phenoxypropan-1-one
PubChem CID110346370
Molecular FormulaC21H23ClN2O3
Molecular Weight386.88 g/mol
Exact Mass386.14
IUPAC Name1-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-methyl-2-phenoxypropan-1-one
SMILESCC(C)(Oc1ccccc1)C(=O)N1CCN(C(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H23ClN2O3/c1-21(2,27-18-6-4-3-5-7-18)20(26)24-14-12-23(13-15-24)19(25)16-8-10-17(22)11-9-16/h3-11H,12-15H2,1-2H3
InChIKeyJZALPLVIXZSLMC-UHFFFAOYSA-N
XLogP3.48
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-benzoylpiperazin-1-yl)-2-methyl-2-phenoxypropan-1-one
CID 110346348
1-[4-(2-fluorobenzoyl)piperazin-1-yl]-2-methyl-2-phenoxypropan-1-one
CID 110346352
2-[4-[4-(4-chlorobenzoyl)piperazin-1-yl]phenoxy]-2-methylpropanoic acid
CID 22399353
2,2-dimethyl-1-[4-(4-phenoxybenzoyl)piperazin-1-yl]propan-1-one
CID 52573410
2-(4-chlorophenoxy)-1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-methylpropan-1-one
CID 7551162
2-(3-chlorophenoxy)-2-methyl-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]propan-1-one
CID 75463774
2-[4-(4-chlorobenzoyl)phenoxy]-1-(4,4-dimethylpiperazin-4-ium-1-yl)-2-methylpropan-1-one iodide
CID 165164047
N,N-diethyl-4-(2-methyl-2-phenoxypropanoyl)piperazine-1-carboxamide
CID 110346381
2-(4-chlorophenoxy)-1-[4-(4-hydroxybenzoyl)piperidin-1-yl]-2-methylpropan-1-one
CID 24615476
2-(4-chlorophenoxy)-1-[4-(4-methoxybenzoyl)piperidin-1-yl]-2-methylpropan-1-one
CID 25474118
1-[2-(4-chlorophenoxy)-2-methylpropanoyl]piperidine-4-carboxamide
CID 754662
2-amino-1-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-methylpentan-1-one
CID 119704901

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-methyl-2-phenoxypropan-1-one?
The IUPAC name of 1-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-methyl-2-phenoxypropan-1-one (CID 110346370) is 1-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-methyl-2-phenoxypropan-1-one.
What is the SMILES notation for 1-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-methyl-2-phenoxypropan-1-one?
The canonical SMILES for 1-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-methyl-2-phenoxypropan-1-one is CC(C)(Oc1ccccc1)C(=O)N1CCN(C(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-methyl-2-phenoxypropan-1-one?
The InChIKey is JZALPLVIXZSLMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O3/c1-21(2,27-18-6-4-3-5-7-18)20(26)24-14-12-23(13-15-24)19(25)16-8-10-17(22)11-9-16/h3-11H,12-15H2,1-2H3.
What are the key properties of 1-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-methyl-2-phenoxypropan-1-one?
1-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-methyl-2-phenoxypropan-1-one has a molecular weight of 386.88 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-methyl-2-phenoxypropan-1-one is sourced from PubChem (CID 110346370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).