1-[4-(3,5-dichlorophenyl)piperazin-1-yl]-3-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-3-oxo-1-phenylpropoxy]-3-phenylpropan-1-one

C38H38Cl4N4O3 — CID 142761962

IUPAC1-[4-(3,5-dichlorophenyl)piperazin-1-yl]-3-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-3-oxo-1-phenylpropoxy]-3-phenylpropan-1-one
SMILESO=C(CC(OC(CC(=O)N1CCN(c2cc(Cl)cc(Cl)c2)CC1)c1ccccc1)c1ccccc1)N1CCN(c2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C38H38Cl4N4O3/c39-29-19-30(40)22-33(21-29)43-11-15-45(16-12-43)37(47)25-35(27-7-3-1-4-8-27)49-36(28-9-5-2-6-10-28)26-38(48)46-17-13-44(14-18-46)34-23-31(41)20-32(42)24-34/h1-10,19-24,35-36H,11-18,25-26H2
InChIKeySVJJCKPZEDTSRM-UHFFFAOYSA-N
MW740.56 g/mol
LogP8.58
Rot. Bonds10

About 1-[4-(3,5-dichlorophenyl)piperazin-1-yl]-3-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-3-oxo-1-phenylpropoxy]-3-phenylpropan-1-one

1-[4-(3,5-dichlorophenyl)piperazin-1-yl]-3-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-3-oxo-1-phenylpropoxy]-3-phenylpropan-1-one (PubChem CID 142761962) has the molecular formula C38H38Cl4N4O3 and a molecular weight of 740.56 g/mol. Its IUPAC name is 1-[4-(3,5-dichlorophenyl)piperazin-1-yl]-3-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-3-oxo-1-phenylpropoxy]-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-[4-(3,5-dichlorophenyl)piperazin-1-yl]-3-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-3-oxo-1-phenylpropoxy]-3-phenylpropan-1-one
PubChem CID142761962
Molecular FormulaC38H38Cl4N4O3
Molecular Weight740.56 g/mol
Exact Mass738.17
IUPAC Name1-[4-(3,5-dichlorophenyl)piperazin-1-yl]-3-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-3-oxo-1-phenylpropoxy]-3-phenylpropan-1-one
SMILESO=C(CC(OC(CC(=O)N1CCN(c2cc(Cl)cc(Cl)c2)CC1)c1ccccc1)c1ccccc1)N1CCN(c2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C38H38Cl4N4O3/c39-29-19-30(40)22-33(21-29)43-11-15-45(16-12-43)37(47)25-35(27-7-3-1-4-8-27)49-36(28-9-5-2-6-10-28)26-38(48)46-17-13-44(14-18-46)34-23-31(41)20-32(42)24-34/h1-10,19-24,35-36H,11-18,25-26H2
InChIKeySVJJCKPZEDTSRM-UHFFFAOYSA-N
XLogP8.58
TPSA56.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.56
LogP ≤ 58.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,5-dichlorophenyl)piperazin-1-yl]-3-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-3-oxo-1-phenylpropoxy]-3-phenylpropan-1-one?
The IUPAC name of 1-[4-(3,5-dichlorophenyl)piperazin-1-yl]-3-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-3-oxo-1-phenylpropoxy]-3-phenylpropan-1-one (CID 142761962) is 1-[4-(3,5-dichlorophenyl)piperazin-1-yl]-3-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-3-oxo-1-phenylpropoxy]-3-phenylpropan-1-one.
What is the SMILES notation for 1-[4-(3,5-dichlorophenyl)piperazin-1-yl]-3-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-3-oxo-1-phenylpropoxy]-3-phenylpropan-1-one?
The canonical SMILES for 1-[4-(3,5-dichlorophenyl)piperazin-1-yl]-3-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-3-oxo-1-phenylpropoxy]-3-phenylpropan-1-one is O=C(CC(OC(CC(=O)N1CCN(c2cc(Cl)cc(Cl)c2)CC1)c1ccccc1)c1ccccc1)N1CCN(c2cc(Cl)cc(Cl)c2)CC1.
What is the InChIKey of 1-[4-(3,5-dichlorophenyl)piperazin-1-yl]-3-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-3-oxo-1-phenylpropoxy]-3-phenylpropan-1-one?
The InChIKey is SVJJCKPZEDTSRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H38Cl4N4O3/c39-29-19-30(40)22-33(21-29)43-11-15-45(16-12-43)37(47)25-35(27-7-3-1-4-8-27)49-36(28-9-5-2-6-10-28)26-38(48)46-17-13-44(14-18-46)34-23-31(41)20-32(42)24-34/h1-10,19-24,35-36H,11-18,25-26H2.
What are the key properties of 1-[4-(3,5-dichlorophenyl)piperazin-1-yl]-3-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-3-oxo-1-phenylpropoxy]-3-phenylpropan-1-one?
1-[4-(3,5-dichlorophenyl)piperazin-1-yl]-3-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-3-oxo-1-phenylpropoxy]-3-phenylpropan-1-one has a molecular weight of 740.56 g/mol, XLogP of 8.58, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,5-dichlorophenyl)piperazin-1-yl]-3-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-3-oxo-1-phenylpropoxy]-3-phenylpropan-1-one is sourced from PubChem (CID 142761962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).