3-(4-chlorophenyl)-1-[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-yl]propan-1-one

C22H24Cl2N2O2 — CID 108536940

IUPAC3-(4-chlorophenyl)-1-[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-yl]propan-1-one
SMILESO=C(CCc1ccc(Cl)cc1)N1CCN(C(=O)CCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C22H24Cl2N2O2/c23-19-7-1-17(2-8-19)5-11-21(27)25-13-15-26(16-14-25)22(28)12-6-18-3-9-20(24)10-4-18/h1-4,7-10H,5-6,11-16H2
InChIKeyYUTRDCKOHPTIDK-UHFFFAOYSA-N
MW419.35 g/mol
LogP4.23
Rot. Bonds6

About 3-(4-chlorophenyl)-1-[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-yl]propan-1-one

3-(4-chlorophenyl)-1-[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-yl]propan-1-one (PubChem CID 108536940) has the molecular formula C22H24Cl2N2O2 and a molecular weight of 419.35 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-yl]propan-1-one
PubChem CID108536940
Molecular FormulaC22H24Cl2N2O2
Molecular Weight419.35 g/mol
Exact Mass418.12
IUPAC Name3-(4-chlorophenyl)-1-[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-yl]propan-1-one
SMILESO=C(CCc1ccc(Cl)cc1)N1CCN(C(=O)CCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C22H24Cl2N2O2/c23-19-7-1-17(2-8-19)5-11-21(27)25-13-15-26(16-14-25)22(28)12-6-18-3-9-20(24)10-4-18/h1-4,7-10H,5-6,11-16H2
InChIKeyYUTRDCKOHPTIDK-UHFFFAOYSA-N
XLogP4.23
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.35
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-1-[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-yl]butan-1-one
CID 108569833
1-[3-(4-chlorophenyl)propanoyl]piperidine-4-carboxylic acid
CID 45341294
tert-butyl 4-[3-(4-chlorophenyl)propanoyl]piperazine-1-carboxylate
CID 127118642
3-(4-chlorophenyl)-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one
CID 21025482
1-[4-(4-chlorophenyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 757895
1-[4-(2-bromobenzoyl)piperazin-1-yl]-3-(4-chlorophenyl)propan-1-one
CID 108534171
1-[4-[3-(4-chlorophenyl)propanoyl]-1,4-diazepan-1-yl]-3-cyclohexylpropan-1-one
CID 108547690
3-(4-methylphenyl)-1-[4-[3-(4-methylphenyl)propanoyl]piperazin-1-yl]propan-1-one
CID 108536889
3-(4-chlorophenyl)-1-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]propan-1-one
CID 108536950
5-(4-chlorophenyl)-1-piperidin-1-ylpentan-1-one
CID 56982056
3-(4-chlorophenyl)-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]propan-1-one
CID 108536947
3-(4-chlorophenyl)-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]propan-1-one
CID 110422121

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-yl]propan-1-one?
The IUPAC name of 3-(4-chlorophenyl)-1-[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-yl]propan-1-one (CID 108536940) is 3-(4-chlorophenyl)-1-[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(4-chlorophenyl)-1-[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(4-chlorophenyl)-1-[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-yl]propan-1-one is O=C(CCc1ccc(Cl)cc1)N1CCN(C(=O)CCc2ccc(Cl)cc2)CC1.
What is the InChIKey of 3-(4-chlorophenyl)-1-[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-yl]propan-1-one?
The InChIKey is YUTRDCKOHPTIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24Cl2N2O2/c23-19-7-1-17(2-8-19)5-11-21(27)25-13-15-26(16-14-25)22(28)12-6-18-3-9-20(24)10-4-18/h1-4,7-10H,5-6,11-16H2.
What are the key properties of 3-(4-chlorophenyl)-1-[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-yl]propan-1-one?
3-(4-chlorophenyl)-1-[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-yl]propan-1-one has a molecular weight of 419.35 g/mol, XLogP of 4.23, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 108536940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).