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

C27H23N3O3 — CID 1124451

IUPAC2-[2-[4-(9H-fluoren-9-yl)piperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione
SMILESO=C(CN1C(=O)c2ccccc2C1=O)N1CCN(C2c3ccccc3-c3ccccc32)CC1
InChIInChI=1S/C27H23N3O3/c31-24(17-30-26(32)22-11-5-6-12-23(22)27(30)33)28-13-15-29(16-14-28)25-20-9-3-1-7-18(20)19-8-2-4-10-21(19)25/h1-12,25H,13-17H2
InChIKeyMXHPQDGTUJSDAO-UHFFFAOYSA-N
MW437.50 g/mol
LogP3.20
Rot. Bonds3

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

2-[2-[4-(9H-fluoren-9-yl)piperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione (PubChem CID 1124451) has the molecular formula C27H23N3O3 and a molecular weight of 437.50 g/mol. Its IUPAC name is 2-[2-[4-(9H-fluoren-9-yl)piperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-[4-(9H-fluoren-9-yl)piperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione
PubChem CID1124451
Molecular FormulaC27H23N3O3
Molecular Weight437.50 g/mol
Exact Mass437.17
IUPAC Name2-[2-[4-(9H-fluoren-9-yl)piperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione
SMILESO=C(CN1C(=O)c2ccccc2C1=O)N1CCN(C2c3ccccc3-c3ccccc32)CC1
InChIInChI=1S/C27H23N3O3/c31-24(17-30-26(32)22-11-5-6-12-23(22)27(30)33)28-13-15-29(16-14-28)25-20-9-3-1-7-18(20)19-8-2-4-10-21(19)25/h1-12,25H,13-17H2
InChIKeyMXHPQDGTUJSDAO-UHFFFAOYSA-N
XLogP3.20
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 53.20
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-[2-[4-(9H-fluoren-9-yl)piperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-[4-(9H-fluoren-9-yl)piperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione (CID 1124451) is 2-[2-[4-(9H-fluoren-9-yl)piperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-[4-(9H-fluoren-9-yl)piperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-[4-(9H-fluoren-9-yl)piperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione is O=C(CN1C(=O)c2ccccc2C1=O)N1CCN(C2c3ccccc3-c3ccccc32)CC1.
What is the InChIKey of 2-[2-[4-(9H-fluoren-9-yl)piperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione?
The InChIKey is MXHPQDGTUJSDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3O3/c31-24(17-30-26(32)22-11-5-6-12-23(22)27(30)33)28-13-15-29(16-14-28)25-20-9-3-1-7-18(20)19-8-2-4-10-21(19)25/h1-12,25H,13-17H2.
What are the key properties of 2-[2-[4-(9H-fluoren-9-yl)piperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione?
2-[2-[4-(9H-fluoren-9-yl)piperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione has a molecular weight of 437.50 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(9H-fluoren-9-yl)piperazin-1-yl]-2-oxoethyl]isoindole-1,3-dione is sourced from PubChem (CID 1124451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).