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

C23H27N3O2 — CID 14162476

IUPAC2-[5-(4-phenylpiperazin-1-yl)pentyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCCCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H27N3O2/c27-22-20-11-5-6-12-21(20)23(28)26(22)14-8-2-7-13-24-15-17-25(18-16-24)19-9-3-1-4-10-19/h1,3-6,9-12H,2,7-8,13-18H2
InChIKeyYRCZJVPFEIPMMN-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.28
Rot. Bonds7

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

2-[5-(4-phenylpiperazin-1-yl)pentyl]isoindole-1,3-dione (PubChem CID 14162476) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 2-[5-(4-phenylpiperazin-1-yl)pentyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[5-(4-phenylpiperazin-1-yl)pentyl]isoindole-1,3-dione
PubChem CID14162476
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name2-[5-(4-phenylpiperazin-1-yl)pentyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCCCCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H27N3O2/c27-22-20-11-5-6-12-21(20)23(28)26(22)14-8-2-7-13-24-15-17-25(18-16-24)19-9-3-1-4-10-19/h1,3-6,9-12H,2,7-8,13-18H2
InChIKeyYRCZJVPFEIPMMN-UHFFFAOYSA-N
XLogP3.28
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-Phenylphthalimide
CID 68215
ML SA1
CID 2880983
2-(2-Methylphenyl)-1H-isoindole-1,3(2H)-dione
CID 94776
N-1-Naphthylphthalimide
CID 79252
2,3-Dihydro-2-phenyl-1H-isoindol-1-one
CID 97035
2,6-Dimethylphenylphthalimide
CID 73324
2-(1,3-Dioxo-1,3-dihydro-isoindol-2-YL)-N-P-tolyl-acetamide
CID 344672
3-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-N-o-tolyl-propionamide
CID 721309
SF-51
CID 1219451
2-[4-(dimethylamino)phenyl]-1H-isoindole-1,3(2H)-dione
CID 748674
2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-phenylacetamide
CID 223985
1-Benzoyl-4-phenylpiperazine
CID 258240

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-phenylpiperazin-1-yl)pentyl]isoindole-1,3-dione?
The IUPAC name of 2-[5-(4-phenylpiperazin-1-yl)pentyl]isoindole-1,3-dione (CID 14162476) is 2-[5-(4-phenylpiperazin-1-yl)pentyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[5-(4-phenylpiperazin-1-yl)pentyl]isoindole-1,3-dione?
The canonical SMILES for 2-[5-(4-phenylpiperazin-1-yl)pentyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CCCCCN1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-[5-(4-phenylpiperazin-1-yl)pentyl]isoindole-1,3-dione?
The InChIKey is YRCZJVPFEIPMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c27-22-20-11-5-6-12-21(20)23(28)26(22)14-8-2-7-13-24-15-17-25(18-16-24)19-9-3-1-4-10-19/h1,3-6,9-12H,2,7-8,13-18H2.
What are the key properties of 2-[5-(4-phenylpiperazin-1-yl)pentyl]isoindole-1,3-dione?
2-[5-(4-phenylpiperazin-1-yl)pentyl]isoindole-1,3-dione has a molecular weight of 377.49 g/mol, XLogP of 3.28, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-phenylpiperazin-1-yl)pentyl]isoindole-1,3-dione is sourced from PubChem (CID 14162476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).