3-(3-chlorophenyl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-1-one

C21H25ClN2O — CID 127122166

IUPAC3-(3-chlorophenyl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-1-one
SMILESCc1cccc(N2CCN(C(=O)CCc3cccc(Cl)c3)CC2)c1C
InChIInChI=1S/C21H25ClN2O/c1-16-5-3-8-20(17(16)2)23-11-13-24(14-12-23)21(25)10-9-18-6-4-7-19(22)15-18/h3-8,15H,9-14H2,1-2H3
InChIKeyOQADNVZKHPOMJC-UHFFFAOYSA-N
MW356.90 g/mol
LogP4.24
Rot. Bonds4

About 3-(3-chlorophenyl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-1-one

3-(3-chlorophenyl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-1-one (PubChem CID 127122166) has the molecular formula C21H25ClN2O and a molecular weight of 356.90 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(3-chlorophenyl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-1-one
PubChem CID127122166
Molecular FormulaC21H25ClN2O
Molecular Weight356.90 g/mol
Exact Mass356.17
IUPAC Name3-(3-chlorophenyl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-1-one
SMILESCc1cccc(N2CCN(C(=O)CCc3cccc(Cl)c3)CC2)c1C
InChIInChI=1S/C21H25ClN2O/c1-16-5-3-8-20(17(16)2)23-11-13-24(14-12-23)21(25)10-9-18-6-4-7-19(22)15-18/h3-8,15H,9-14H2,1-2H3
InChIKeyOQADNVZKHPOMJC-UHFFFAOYSA-N
XLogP4.24
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.90
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chlorophenyl)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one
CID 134031560
3-(3,5-dimethoxyphenyl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-1-one
CID 40708471
3-(3,5-ditert-butyl-4-hydroxyphenyl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-1-one
CID 2620881
N-[2-(3-chlorophenyl)ethyl]-4-(2-methylphenyl)piperazine-1-carboxamide
CID 113110979
2-(2,5-dichlorophenyl)sulfanyl-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone
CID 2117372
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]butane-1,3-dione
CID 18073226
5-bromo-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]pentan-1-one
CID 67721117
2-(2,6-dichlorophenyl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone
CID 2669186
2-(2,4-dichlorophenoxy)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone
CID 1292697
[1-[(3-chlorophenyl)methyl]piperidin-3-yl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone
CID 43926003
3-(3-chlorophenyl)-1-(4-methylsulfonylpiperidin-1-yl)propan-1-one
CID 90586406
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one
CID 110388329

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-(3-chlorophenyl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-1-one (CID 127122166) is 3-(3-chlorophenyl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(3-chlorophenyl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(3-chlorophenyl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-1-one is Cc1cccc(N2CCN(C(=O)CCc3cccc(Cl)c3)CC2)c1C.
What is the InChIKey of 3-(3-chlorophenyl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-1-one?
The InChIKey is OQADNVZKHPOMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O/c1-16-5-3-8-20(17(16)2)23-11-13-24(14-12-23)21(25)10-9-18-6-4-7-19(22)15-18/h3-8,15H,9-14H2,1-2H3.
What are the key properties of 3-(3-chlorophenyl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-1-one?
3-(3-chlorophenyl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-1-one has a molecular weight of 356.90 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 127122166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).