2-[2-(4-phenylpiperazine-1-carbonyl)phenyl]isoindole-1,3-dione

C25H21N3O3 — CID 168517823

IUPAC2-[2-(4-phenylpiperazine-1-carbonyl)phenyl]isoindole-1,3-dione
SMILESO=C(c1ccccc1N1C(=O)c2ccccc2C1=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C25H21N3O3/c29-23(27-16-14-26(15-17-27)18-8-2-1-3-9-18)21-12-6-7-13-22(21)28-24(30)19-10-4-5-11-20(19)25(28)31/h1-13H,14-17H2
InChIKeyFMMDEVLGBATZEW-UHFFFAOYSA-N
MW411.46 g/mol
LogP3.45
Rot. Bonds3

About 2-[2-(4-phenylpiperazine-1-carbonyl)phenyl]isoindole-1,3-dione

2-[2-(4-phenylpiperazine-1-carbonyl)phenyl]isoindole-1,3-dione (PubChem CID 168517823) has the molecular formula C25H21N3O3 and a molecular weight of 411.46 g/mol. Its IUPAC name is 2-[2-(4-phenylpiperazine-1-carbonyl)phenyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-(4-phenylpiperazine-1-carbonyl)phenyl]isoindole-1,3-dione
PubChem CID168517823
Molecular FormulaC25H21N3O3
Molecular Weight411.46 g/mol
Exact Mass411.16
IUPAC Name2-[2-(4-phenylpiperazine-1-carbonyl)phenyl]isoindole-1,3-dione
SMILESO=C(c1ccccc1N1C(=O)c2ccccc2C1=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C25H21N3O3/c29-23(27-16-14-26(15-17-27)18-8-2-1-3-9-18)21-12-6-7-13-22(21)28-24(30)19-10-4-5-11-20(19)25(28)31/h1-13H,14-17H2
InChIKeyFMMDEVLGBATZEW-UHFFFAOYSA-N
XLogP3.45
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 53.45
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-(morpholine-4-carbonyl)phenyl]isoindole-1,3-dione
CID 4933006
2-[2-(morpholine-4-carbonyl)phenyl]benzo[de]isoquinoline-1,3-dione
CID 1099760
2-[4-(4-acetylpiperazin-1-yl)phenyl]isoindole-1,3-dione
CID 168518953
3-(4-phenylpiperazine-1-carbonyl)-1H-pyridin-2-one
CID 25333485
[4-(4-aminophenyl)piperazin-1-yl]-(2-phenylphenyl)methanone
CID 17234149
(3-amino-2-hydroxyphenyl)-(4-phenylpiperazin-1-yl)methanone
CID 58736410
(2-benzylsulfanylphenyl)-(4-phenylpiperazin-1-yl)methanone
CID 2997168
(4-phenylpiperazin-1-yl)-[2-(4-piperidin-1-ylpiperidin-1-yl)phenyl]methanone
CID 23130829
(4-phenylpiperazin-1-yl)-(2-pyrrolidin-1-yl-3-pyridinyl)methanone
CID 8934171
2-[4-[4-(4-ethylbenzoyl)piperazin-1-yl]phenyl]isoindole-1,3-dione
CID 168517457
4-[4-(1,3-dioxoisoindol-2-yl)-3-nitrophenyl]piperazine-1-carboxylic acid
CID 118026042
[4-[4-(furan-2-yl)phenyl]piperazin-1-yl]-(2-phenylphenyl)methanone
CID 168527219

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-phenylpiperazine-1-carbonyl)phenyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-(4-phenylpiperazine-1-carbonyl)phenyl]isoindole-1,3-dione (CID 168517823) is 2-[2-(4-phenylpiperazine-1-carbonyl)phenyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-(4-phenylpiperazine-1-carbonyl)phenyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-(4-phenylpiperazine-1-carbonyl)phenyl]isoindole-1,3-dione is O=C(c1ccccc1N1C(=O)c2ccccc2C1=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-[2-(4-phenylpiperazine-1-carbonyl)phenyl]isoindole-1,3-dione?
The InChIKey is FMMDEVLGBATZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O3/c29-23(27-16-14-26(15-17-27)18-8-2-1-3-9-18)21-12-6-7-13-22(21)28-24(30)19-10-4-5-11-20(19)25(28)31/h1-13H,14-17H2.
What are the key properties of 2-[2-(4-phenylpiperazine-1-carbonyl)phenyl]isoindole-1,3-dione?
2-[2-(4-phenylpiperazine-1-carbonyl)phenyl]isoindole-1,3-dione has a molecular weight of 411.46 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-phenylpiperazine-1-carbonyl)phenyl]isoindole-1,3-dione is sourced from PubChem (CID 168517823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).