2-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]isoindole-1,3-dione

C20H19Cl2N3O2 — CID 17023423

IUPAC2-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CN1CCN(Cc2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C20H19Cl2N3O2/c21-17-6-3-7-18(22)16(17)12-23-8-10-24(11-9-23)13-25-19(26)14-4-1-2-5-15(14)20(25)27/h1-7H,8-13H2
InChIKeyKIVWIYPUCDRGAB-UHFFFAOYSA-N
MW404.30 g/mol
LogP3.36
Rot. Bonds4

About 2-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]isoindole-1,3-dione

2-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]isoindole-1,3-dione (PubChem CID 17023423) has the molecular formula C20H19Cl2N3O2 and a molecular weight of 404.30 g/mol. Its IUPAC name is 2-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]isoindole-1,3-dione
PubChem CID17023423
Molecular FormulaC20H19Cl2N3O2
Molecular Weight404.30 g/mol
Exact Mass403.09
IUPAC Name2-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CN1CCN(Cc2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C20H19Cl2N3O2/c21-17-6-3-7-18(22)16(17)12-23-8-10-24(11-9-23)13-25-19(26)14-4-1-2-5-15(14)20(25)27/h1-7H,8-13H2
InChIKeyKIVWIYPUCDRGAB-UHFFFAOYSA-N
XLogP3.36
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.30
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-[2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]ethyl]isoindole-1,3-dione
CID 60622977
2-[[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]methyl]isoindole-1,3-dione
CID 31011197
2-[[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]methyl]isoindole-1,3-dione
CID 19583337
1-[(2,6-dichlorophenyl)methyl]azepane
CID 22198064
2-[2-(2,6-dichlorophenyl)ethyl]isoindole-1,3-dione
CID 126721012
2-[6-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-6-oxohexyl]isoindole-1,3-dione
CID 19329359
1-[(4-chlorophenyl)methyl]-4-[(2,6-dichlorophenyl)methyl]piperazine
CID 22195537
4-[(2,6-dichlorophenyl)methyl]piperazine-1-sulfonamide
CID 47147117
3-chloro-2-[(1,3-dioxoisoindol-2-yl)methyl]benzaldehyde
CID 172859196
1-(benzenesulfonyl)-4-[(2,6-dichlorophenyl)methyl]piperazine
CID 8743546
1-[(2,6-dichlorophenyl)methyl]-4-[(2-fluorophenyl)methyl]piperazine
CID 22195534
2-[[4-(azepane-1-carbonyl)piperidin-1-yl]methyl]isoindole-1,3-dione
CID 9319960

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]isoindole-1,3-dione?
The IUPAC name of 2-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]isoindole-1,3-dione (CID 17023423) is 2-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CN1CCN(Cc2c(Cl)cccc2Cl)CC1.
What is the InChIKey of 2-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]isoindole-1,3-dione?
The InChIKey is KIVWIYPUCDRGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2N3O2/c21-17-6-3-7-18(22)16(17)12-23-8-10-24(11-9-23)13-25-19(26)14-4-1-2-5-15(14)20(25)27/h1-7H,8-13H2.
What are the key properties of 2-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]isoindole-1,3-dione?
2-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]isoindole-1,3-dione has a molecular weight of 404.30 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]methyl]isoindole-1,3-dione is sourced from PubChem (CID 17023423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).