4-[4-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]phenyl]morpholine

C25H27FN4O — CID 155511337

IUPAC4-[4-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]phenyl]morpholine
SMILESFc1cccc2c1C(C1CCN(c3ccc(N4CCOCC4)cc3)CC1)n1cncc1-2
InChIInChI=1S/C25H27FN4O/c26-22-3-1-2-21-23-16-27-17-30(23)25(24(21)22)18-8-10-28(11-9-18)19-4-6-20(7-5-19)29-12-14-31-15-13-29/h1-7,16-18,25H,8-15H2
InChIKeySACYRIVKHXSDPC-UHFFFAOYSA-N
MW418.52 g/mol
LogP4.35
Rot. Bonds3

About 4-[4-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]phenyl]morpholine

4-[4-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]phenyl]morpholine (PubChem CID 155511337) has the molecular formula C25H27FN4O and a molecular weight of 418.52 g/mol. Its IUPAC name is 4-[4-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]phenyl]morpholine.

Molecular Properties

Compound Name4-[4-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]phenyl]morpholine
PubChem CID155511337
Molecular FormulaC25H27FN4O
Molecular Weight418.52 g/mol
Exact Mass418.22
IUPAC Name4-[4-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]phenyl]morpholine
SMILESFc1cccc2c1C(C1CCN(c3ccc(N4CCOCC4)cc3)CC1)n1cncc1-2
InChIInChI=1S/C25H27FN4O/c26-22-3-1-2-21-23-16-27-17-30(23)25(24(21)22)18-8-10-28(11-9-18)19-4-6-20(7-5-19)29-12-14-31-15-13-29/h1-7,16-18,25H,8-15H2
InChIKeySACYRIVKHXSDPC-UHFFFAOYSA-N
XLogP4.35
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]phenyl]morpholine?
The IUPAC name of 4-[4-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]phenyl]morpholine (CID 155511337) is 4-[4-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]phenyl]morpholine.
What is the SMILES notation for 4-[4-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]phenyl]morpholine?
The canonical SMILES for 4-[4-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]phenyl]morpholine is Fc1cccc2c1C(C1CCN(c3ccc(N4CCOCC4)cc3)CC1)n1cncc1-2.
What is the InChIKey of 4-[4-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]phenyl]morpholine?
The InChIKey is SACYRIVKHXSDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN4O/c26-22-3-1-2-21-23-16-27-17-30(23)25(24(21)22)18-8-10-28(11-9-18)19-4-6-20(7-5-19)29-12-14-31-15-13-29/h1-7,16-18,25H,8-15H2.
What are the key properties of 4-[4-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]phenyl]morpholine?
4-[4-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]phenyl]morpholine has a molecular weight of 418.52 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]phenyl]morpholine is sourced from PubChem (CID 155511337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).