2-[3-[4-(9H-fluoren-9-yl)piperazin-1-yl]-3-oxopropyl]isoindole-1,3-dione

C28H25N3O3 — CID 1351222

IUPAC2-[3-[4-(9H-fluoren-9-yl)piperazin-1-yl]-3-oxopropyl]isoindole-1,3-dione
SMILESO=C(CCN1C(=O)c2ccccc2C1=O)N1CCN(C2c3ccccc3-c3ccccc32)CC1
InChIInChI=1S/C28H25N3O3/c32-25(13-14-31-27(33)23-11-5-6-12-24(23)28(31)34)29-15-17-30(18-16-29)26-21-9-3-1-7-19(21)20-8-2-4-10-22(20)26/h1-12,26H,13-18H2
InChIKeyDORGDIHMWPSOHG-UHFFFAOYSA-N
MW451.53 g/mol
LogP3.59
Rot. Bonds4

About 2-[3-[4-(9H-fluoren-9-yl)piperazin-1-yl]-3-oxopropyl]isoindole-1,3-dione

2-[3-[4-(9H-fluoren-9-yl)piperazin-1-yl]-3-oxopropyl]isoindole-1,3-dione (PubChem CID 1351222) has the molecular formula C28H25N3O3 and a molecular weight of 451.53 g/mol. Its IUPAC name is 2-[3-[4-(9H-fluoren-9-yl)piperazin-1-yl]-3-oxopropyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[3-[4-(9H-fluoren-9-yl)piperazin-1-yl]-3-oxopropyl]isoindole-1,3-dione
PubChem CID1351222
Molecular FormulaC28H25N3O3
Molecular Weight451.53 g/mol
Exact Mass451.19
IUPAC Name2-[3-[4-(9H-fluoren-9-yl)piperazin-1-yl]-3-oxopropyl]isoindole-1,3-dione
SMILESO=C(CCN1C(=O)c2ccccc2C1=O)N1CCN(C2c3ccccc3-c3ccccc32)CC1
InChIInChI=1S/C28H25N3O3/c32-25(13-14-31-27(33)23-11-5-6-12-24(23)28(31)34)29-15-17-30(18-16-29)26-21-9-3-1-7-19(21)20-8-2-4-10-22(20)26/h1-12,26H,13-18H2
InChIKeyDORGDIHMWPSOHG-UHFFFAOYSA-N
XLogP3.59
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(9H-fluoren-9-yl)piperazin-1-yl]-3-oxopropyl]isoindole-1,3-dione?
The IUPAC name of 2-[3-[4-(9H-fluoren-9-yl)piperazin-1-yl]-3-oxopropyl]isoindole-1,3-dione (CID 1351222) is 2-[3-[4-(9H-fluoren-9-yl)piperazin-1-yl]-3-oxopropyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[3-[4-(9H-fluoren-9-yl)piperazin-1-yl]-3-oxopropyl]isoindole-1,3-dione?
The canonical SMILES for 2-[3-[4-(9H-fluoren-9-yl)piperazin-1-yl]-3-oxopropyl]isoindole-1,3-dione is O=C(CCN1C(=O)c2ccccc2C1=O)N1CCN(C2c3ccccc3-c3ccccc32)CC1.
What is the InChIKey of 2-[3-[4-(9H-fluoren-9-yl)piperazin-1-yl]-3-oxopropyl]isoindole-1,3-dione?
The InChIKey is DORGDIHMWPSOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N3O3/c32-25(13-14-31-27(33)23-11-5-6-12-24(23)28(31)34)29-15-17-30(18-16-29)26-21-9-3-1-7-19(21)20-8-2-4-10-22(20)26/h1-12,26H,13-18H2.
What are the key properties of 2-[3-[4-(9H-fluoren-9-yl)piperazin-1-yl]-3-oxopropyl]isoindole-1,3-dione?
2-[3-[4-(9H-fluoren-9-yl)piperazin-1-yl]-3-oxopropyl]isoindole-1,3-dione has a molecular weight of 451.53 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(9H-fluoren-9-yl)piperazin-1-yl]-3-oxopropyl]isoindole-1,3-dione is sourced from PubChem (CID 1351222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).