1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-phenylpropan-1-one

C20H20Cl2N2O2 — CID 110364942

IUPAC1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-phenylpropan-1-one
SMILESO=C(CCc1ccccc1)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C20H20Cl2N2O2/c21-16-7-8-17(18(22)14-16)20(26)24-12-10-23(11-13-24)19(25)9-6-15-4-2-1-3-5-15/h1-5,7-8,14H,6,9-13H2
InChIKeyJMCFKMUDPMMQPO-UHFFFAOYSA-N
MW391.30 g/mol
LogP3.91
Rot. Bonds4

About 1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-phenylpropan-1-one

1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-phenylpropan-1-one (PubChem CID 110364942) has the molecular formula C20H20Cl2N2O2 and a molecular weight of 391.30 g/mol. Its IUPAC name is 1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-phenylpropan-1-one
PubChem CID110364942
Molecular FormulaC20H20Cl2N2O2
Molecular Weight391.30 g/mol
Exact Mass390.09
IUPAC Name1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-phenylpropan-1-one
SMILESO=C(CCc1ccccc1)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C20H20Cl2N2O2/c21-16-7-8-17(18(22)14-16)20(26)24-12-10-23(11-13-24)19(25)9-6-15-4-2-1-3-5-15/h1-5,7-8,14H,6,9-13H2
InChIKeyJMCFKMUDPMMQPO-UHFFFAOYSA-N
XLogP3.91
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.30
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 48866857
1-[4-(2-chlorobenzoyl)piperazin-1-yl]-3-(4-fluorophenyl)propan-1-one
CID 32761996
methyl 4-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-4-oxobutanoate
CID 110817882
1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one
CID 110603511
1-[4-(2-bromobenzoyl)piperazin-1-yl]-3-(4-chlorophenyl)propan-1-one
CID 108534171
1-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-3-(4-fluorophenyl)propan-1-one
CID 55716352
1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-2-(N-methylanilino)ethanone
CID 55823668
1-[4-(4-chlorophenyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 757895
3-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-oxopropanoate
CID 2050573
3-(4-chlorophenyl)-1-[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-yl]propan-1-one
CID 108536940
[4-(2-bromobenzoyl)piperazin-1-yl]-(2,4-dichlorophenyl)methanone
CID 55660753
1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-2-(2-hydroxyphenoxy)ethanone
CID 2050578

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-phenylpropan-1-one?
The IUPAC name of 1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-phenylpropan-1-one (CID 110364942) is 1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-phenylpropan-1-one.
What is the SMILES notation for 1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-phenylpropan-1-one?
The canonical SMILES for 1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-phenylpropan-1-one is O=C(CCc1ccccc1)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of 1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-phenylpropan-1-one?
The InChIKey is JMCFKMUDPMMQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N2O2/c21-16-7-8-17(18(22)14-16)20(26)24-12-10-23(11-13-24)19(25)9-6-15-4-2-1-3-5-15/h1-5,7-8,14H,6,9-13H2.
What are the key properties of 1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-phenylpropan-1-one?
1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-phenylpropan-1-one has a molecular weight of 391.30 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 110364942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).