2-[(2-chlorophenyl)methyl]-4-(4-cyclopentylpiperazin-1-yl)isoindole-1,3-dione

C24H26ClN3O2 — CID 42484756

IUPAC2-[(2-chlorophenyl)methyl]-4-(4-cyclopentylpiperazin-1-yl)isoindole-1,3-dione
SMILESO=C1c2cccc(N3CCN(C4CCCC4)CC3)c2C(=O)N1Cc1ccccc1Cl
InChIInChI=1S/C24H26ClN3O2/c25-20-10-4-1-6-17(20)16-28-23(29)19-9-5-11-21(22(19)24(28)30)27-14-12-26(13-15-27)18-7-2-3-8-18/h1,4-6,9-11,18H,2-3,7-8,12-16H2
InChIKeyMZAIKIKUUYIJHW-UHFFFAOYSA-N
MW423.94 g/mol
LogP4.20
Rot. Bonds4

About 2-[(2-chlorophenyl)methyl]-4-(4-cyclopentylpiperazin-1-yl)isoindole-1,3-dione

2-[(2-chlorophenyl)methyl]-4-(4-cyclopentylpiperazin-1-yl)isoindole-1,3-dione (PubChem CID 42484756) has the molecular formula C24H26ClN3O2 and a molecular weight of 423.94 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl]-4-(4-cyclopentylpiperazin-1-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl]-4-(4-cyclopentylpiperazin-1-yl)isoindole-1,3-dione
PubChem CID42484756
Molecular FormulaC24H26ClN3O2
Molecular Weight423.94 g/mol
Exact Mass423.17
IUPAC Name2-[(2-chlorophenyl)methyl]-4-(4-cyclopentylpiperazin-1-yl)isoindole-1,3-dione
SMILESO=C1c2cccc(N3CCN(C4CCCC4)CC3)c2C(=O)N1Cc1ccccc1Cl
InChIInChI=1S/C24H26ClN3O2/c25-20-10-4-1-6-17(20)16-28-23(29)19-9-5-11-21(22(19)24(28)30)27-14-12-26(13-15-27)18-7-2-3-8-18/h1,4-6,9-11,18H,2-3,7-8,12-16H2
InChIKeyMZAIKIKUUYIJHW-UHFFFAOYSA-N
XLogP4.20
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.94
LogP ≤ 54.20
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

4-[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]-2-[(2-fluorophenyl)methyl]isoindole-1,3-dione
CID 42171346
4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-[(2-chlorophenyl)methyl]isoindole-1,3-dione
CID 56860816
N-benzyl-1-[2-[(2-chlorophenyl)methyl]-1,3-dioxoisoindol-4-yl]-N-(2-hydroxyethyl)piperidine-4-carboxamide
CID 45180898
4-[(2-chlorophenyl)methyl]-1-cyclopentyl-1,4-diazepan-5-one
CID 42168054
ethyl (3S)-1-[(3R)-1-[2-[(2-chlorophenyl)methyl]-1,3-dioxoisoindol-4-yl]piperidine-3-carbonyl]piperidine-3-carboxylate
CID 125157127
2-cyclohexyl-4-piperidin-1-ylisoindole-1,3-dione
CID 139204663
[2-(4-cyclopentylpiperazin-1-yl)phenyl]methanol
CID 62369445
1-[(2-chlorophenyl)methyl]-4-cyclopentylpiperazine;oxalic acid
CID 17366702
1-[2-(bromomethyl)-3-chlorophenyl]-4-cyclopentylpiperazine
CID 107082799
4-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-[(3-fluorophenyl)methyl]isoindole-1,3-dione
CID 42172121
4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-[(4-methoxyphenyl)methyl]isoindole-1,3-dione
CID 42381762
2-[(4-methoxyphenyl)methyl]-4-[4-(piperidine-1-carbonyl)piperidin-1-yl]isoindole-1,3-dione
CID 42167610

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl]-4-(4-cyclopentylpiperazin-1-yl)isoindole-1,3-dione?
The IUPAC name of 2-[(2-chlorophenyl)methyl]-4-(4-cyclopentylpiperazin-1-yl)isoindole-1,3-dione (CID 42484756) is 2-[(2-chlorophenyl)methyl]-4-(4-cyclopentylpiperazin-1-yl)isoindole-1,3-dione.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl]-4-(4-cyclopentylpiperazin-1-yl)isoindole-1,3-dione?
The canonical SMILES for 2-[(2-chlorophenyl)methyl]-4-(4-cyclopentylpiperazin-1-yl)isoindole-1,3-dione is O=C1c2cccc(N3CCN(C4CCCC4)CC3)c2C(=O)N1Cc1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorophenyl)methyl]-4-(4-cyclopentylpiperazin-1-yl)isoindole-1,3-dione?
The InChIKey is MZAIKIKUUYIJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN3O2/c25-20-10-4-1-6-17(20)16-28-23(29)19-9-5-11-21(22(19)24(28)30)27-14-12-26(13-15-27)18-7-2-3-8-18/h1,4-6,9-11,18H,2-3,7-8,12-16H2.
What are the key properties of 2-[(2-chlorophenyl)methyl]-4-(4-cyclopentylpiperazin-1-yl)isoindole-1,3-dione?
2-[(2-chlorophenyl)methyl]-4-(4-cyclopentylpiperazin-1-yl)isoindole-1,3-dione has a molecular weight of 423.94 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl]-4-(4-cyclopentylpiperazin-1-yl)isoindole-1,3-dione is sourced from PubChem (CID 42484756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).