2-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]isoindole-1,3-dione

C24H29N3O3 — CID 14566695

IUPAC2-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]isoindole-1,3-dione
SMILESCOc1ccccc1N1CCN(CCCCCN2C(=O)c3ccccc3C2=O)CC1
InChIInChI=1S/C24H29N3O3/c1-30-22-12-6-5-11-21(22)26-17-15-25(16-18-26)13-7-2-8-14-27-23(28)19-9-3-4-10-20(19)24(27)29/h3-6,9-12H,2,7-8,13-18H2,1H3
InChIKeyCTTFCMUXFFKCOZ-UHFFFAOYSA-N
MW407.51 g/mol
LogP3.28
Rot. Bonds8

About 2-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]isoindole-1,3-dione

2-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]isoindole-1,3-dione (PubChem CID 14566695) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is 2-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]isoindole-1,3-dione
PubChem CID14566695
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC Name2-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]isoindole-1,3-dione
SMILESCOc1ccccc1N1CCN(CCCCCN2C(=O)c3ccccc3C2=O)CC1
InChIInChI=1S/C24H29N3O3/c1-30-22-12-6-5-11-21(22)26-17-15-25(16-18-26)13-7-2-8-14-27-23(28)19-9-3-4-10-20(19)24(27)29/h3-6,9-12H,2,7-8,13-18H2,1H3
InChIKeyCTTFCMUXFFKCOZ-UHFFFAOYSA-N
XLogP3.28
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]isoindole-1,3-dione?
The IUPAC name of 2-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]isoindole-1,3-dione (CID 14566695) is 2-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]isoindole-1,3-dione?
The canonical SMILES for 2-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]isoindole-1,3-dione is COc1ccccc1N1CCN(CCCCCN2C(=O)c3ccccc3C2=O)CC1.
What is the InChIKey of 2-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]isoindole-1,3-dione?
The InChIKey is CTTFCMUXFFKCOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-30-22-12-6-5-11-21(22)26-17-15-25(16-18-26)13-7-2-8-14-27-23(28)19-9-3-4-10-20(19)24(27)29/h3-6,9-12H,2,7-8,13-18H2,1H3.
What are the key properties of 2-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]isoindole-1,3-dione?
2-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]isoindole-1,3-dione has a molecular weight of 407.51 g/mol, XLogP of 3.28, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]isoindole-1,3-dione is sourced from PubChem (CID 14566695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).