1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-5-phenylpentane-1,5-dione

C21H22Cl2N2O2 — CID 4167422

IUPAC1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-5-phenylpentane-1,5-dione
SMILESO=C(CCCC(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1)c1ccccc1
InChIInChI=1S/C21H22Cl2N2O2/c22-18-10-9-17(15-19(18)23)24-11-13-25(14-12-24)21(27)8-4-7-20(26)16-5-2-1-3-6-16/h1-3,5-6,9-10,15H,4,7-8,11-14H2
InChIKeyUTNIBCPWYOWCKY-UHFFFAOYSA-N
MW405.33 g/mol
LogP4.70
Rot. Bonds6

About 1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-5-phenylpentane-1,5-dione

1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-5-phenylpentane-1,5-dione (PubChem CID 4167422) has the molecular formula C21H22Cl2N2O2 and a molecular weight of 405.33 g/mol. Its IUPAC name is 1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-5-phenylpentane-1,5-dione.

Molecular Properties

Compound Name1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-5-phenylpentane-1,5-dione
PubChem CID4167422
Molecular FormulaC21H22Cl2N2O2
Molecular Weight405.33 g/mol
Exact Mass404.11
IUPAC Name1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-5-phenylpentane-1,5-dione
SMILESO=C(CCCC(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1)c1ccccc1
InChIInChI=1S/C21H22Cl2N2O2/c22-18-10-9-17(15-19(18)23)24-11-13-25(14-12-24)21(27)8-4-7-20(26)16-5-2-1-3-6-16/h1-3,5-6,9-10,15H,4,7-8,11-14H2
InChIKeyUTNIBCPWYOWCKY-UHFFFAOYSA-N
XLogP4.70
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.33
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(3-chlorophenyl)piperazin-1-yl]-5-phenylpentane-1,5-dione
CID 20969074
1-[4-(3,4-dichlorophenyl)piperazin-1-yl]pentan-1-one
CID 17217206
1,6-bis(4-phenylpiperazin-1-yl)hexane-1,6-dione
CID 2933488
1-(4-cyclopropylidenepiperidin-1-yl)-5-phenylpentane-1,5-dione
CID 121186913
N-[4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-4-oxo-1-phenylbutan-2-yl]benzamide
CID 69063884
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(4-phenylpiperazin-1-yl)pentane-1,5-dione
CID 110344553
1-[4-(2-methyl-6-phenylpyrimidin-4-yl)piperazin-1-yl]-5-phenylpentane-1,5-dione
CID 108736956
1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-3-(4-methyl-1,2,4-triazol-3-yl)propan-1-one
CID 70738213
N-[(2R)-1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 24739182
3-[4-(3,4-dichlorophenyl)piperazin-1-yl]propanoic acid
CID 22337271
5-[[5-benzyl-4-(3,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[4-(3-chlorophenyl)piperazin-1-yl]pentan-1-one
CID 4303313
1-[4-(3-chlorophenyl)piperazin-1-yl]-5-hydroxypentan-1-one
CID 79016503

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-5-phenylpentane-1,5-dione?
The IUPAC name of 1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-5-phenylpentane-1,5-dione (CID 4167422) is 1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-5-phenylpentane-1,5-dione.
What is the SMILES notation for 1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-5-phenylpentane-1,5-dione?
The canonical SMILES for 1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-5-phenylpentane-1,5-dione is O=C(CCCC(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1)c1ccccc1.
What is the InChIKey of 1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-5-phenylpentane-1,5-dione?
The InChIKey is UTNIBCPWYOWCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22Cl2N2O2/c22-18-10-9-17(15-19(18)23)24-11-13-25(14-12-24)21(27)8-4-7-20(26)16-5-2-1-3-6-16/h1-3,5-6,9-10,15H,4,7-8,11-14H2.
What are the key properties of 1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-5-phenylpentane-1,5-dione?
1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-5-phenylpentane-1,5-dione has a molecular weight of 405.33 g/mol, XLogP of 4.70, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-5-phenylpentane-1,5-dione is sourced from PubChem (CID 4167422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).