2-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-3-methylideneisoindol-1-one

C22H23Cl2N3O — CID 123755399

IUPAC2-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-3-methylideneisoindol-1-one
SMILESC=C1c2ccccc2C(=O)N1CCCN1CCN(c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C22H23Cl2N3O/c1-16-17-6-2-3-7-18(17)22(28)27(16)11-5-10-25-12-14-26(15-13-25)20-9-4-8-19(23)21(20)24/h2-4,6-9H,1,5,10-15H2
InChIKeyYSSOWDWPKPHGJJ-UHFFFAOYSA-N
MW416.35 g/mol
LogP4.63
Rot. Bonds5

About 2-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-3-methylideneisoindol-1-one

2-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-3-methylideneisoindol-1-one (PubChem CID 123755399) has the molecular formula C22H23Cl2N3O and a molecular weight of 416.35 g/mol. Its IUPAC name is 2-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-3-methylideneisoindol-1-one.

Molecular Properties

Compound Name2-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-3-methylideneisoindol-1-one
PubChem CID123755399
Molecular FormulaC22H23Cl2N3O
Molecular Weight416.35 g/mol
Exact Mass415.12
IUPAC Name2-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-3-methylideneisoindol-1-one
SMILESC=C1c2ccccc2C(=O)N1CCCN1CCN(c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C22H23Cl2N3O/c1-16-17-6-2-3-7-18(17)22(28)27(16)11-5-10-25-12-14-26(15-13-25)20-9-4-8-19(23)21(20)24/h2-4,6-9H,1,5,10-15H2
InChIKeyYSSOWDWPKPHGJJ-UHFFFAOYSA-N
XLogP4.63
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.35
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]benzo[de]isoquinoline-1,3-dione;hydrochloride
CID 16752492
2-[6-[4-(2-chlorophenyl)piperazin-1-yl]hexyl]isoindole-1,3-dione;hydrobromide
CID 24839637
2-[(E)-4-[4-(2,3-dichlorophenyl)piperazin-1-yl]but-2-enyl]isoindole-1,3-dione
CID 11774742
2-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]isoindole-1,3-dione;hydrochloride
CID 3088491
2-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]-3-fluorobutyl]isoindole-1,3-dione
CID 53248155
1-butyl-4-(2,3-dichlorophenyl)piperazine
CID 58358826
1-(2,3-dichlorophenyl)-4-hexylpiperazine
CID 155107965
2-(3-pyrrolidin-1-ylpropyl)isoindole-1,3-dione
CID 12612173
2-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propyl]isoindole-1,3-dione
CID 33055181
4-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]isoindole-1,3-dione
CID 141080679
2-[7-[4-(2-methoxyphenyl)piperazin-1-yl]heptyl]isoindole-1,3-dione
CID 139959232
2-[5-[[4-(2,3-dichlorophenyl)piperazin-1-yl]methyl]-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]isoindole-1,3-dione
CID 155034814

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-3-methylideneisoindol-1-one?
The IUPAC name of 2-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-3-methylideneisoindol-1-one (CID 123755399) is 2-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-3-methylideneisoindol-1-one.
What is the SMILES notation for 2-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-3-methylideneisoindol-1-one?
The canonical SMILES for 2-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-3-methylideneisoindol-1-one is C=C1c2ccccc2C(=O)N1CCCN1CCN(c2cccc(Cl)c2Cl)CC1.
What is the InChIKey of 2-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-3-methylideneisoindol-1-one?
The InChIKey is YSSOWDWPKPHGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23Cl2N3O/c1-16-17-6-2-3-7-18(17)22(28)27(16)11-5-10-25-12-14-26(15-13-25)20-9-4-8-19(23)21(20)24/h2-4,6-9H,1,5,10-15H2.
What are the key properties of 2-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-3-methylideneisoindol-1-one?
2-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-3-methylideneisoindol-1-one has a molecular weight of 416.35 g/mol, XLogP of 4.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-3-methylideneisoindol-1-one is sourced from PubChem (CID 123755399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).