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

C23H23FN4O — CID 145172553

IUPAC4-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(N2CCC(C3c4c(F)cccc4-c4cncn43)CC2)cc1
InChIInChI=1S/C23H23FN4O/c1-25-23(29)16-5-7-17(8-6-16)27-11-9-15(10-12-27)22-21-18(3-2-4-19(21)24)20-13-26-14-28(20)22/h2-8,13-15,22H,9-12H2,1H3,(H,25,29)
InChIKeyIPCJBPZJJAPQIL-UHFFFAOYSA-N
MW390.46 g/mol
LogP3.87
Rot. Bonds3

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

4-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-N-methylbenzamide (PubChem CID 145172553) has the molecular formula C23H23FN4O and a molecular weight of 390.46 g/mol. Its IUPAC name is 4-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-N-methylbenzamide
PubChem CID145172553
Molecular FormulaC23H23FN4O
Molecular Weight390.46 g/mol
Exact Mass390.19
IUPAC Name4-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(N2CCC(C3c4c(F)cccc4-c4cncn43)CC2)cc1
InChIInChI=1S/C23H23FN4O/c1-25-23(29)16-5-7-17(8-6-16)27-11-9-15(10-12-27)22-21-18(3-2-4-19(21)24)20-13-26-14-28(20)22/h2-8,13-15,22H,9-12H2,1H3,(H,25,29)
InChIKeyIPCJBPZJJAPQIL-UHFFFAOYSA-N
XLogP3.87
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-N-methylbenzamide?
The IUPAC name of 4-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-N-methylbenzamide (CID 145172553) is 4-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-N-methylbenzamide.
What is the SMILES notation for 4-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-N-methylbenzamide?
The canonical SMILES for 4-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-N-methylbenzamide is CNC(=O)c1ccc(N2CCC(C3c4c(F)cccc4-c4cncn43)CC2)cc1.
What is the InChIKey of 4-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-N-methylbenzamide?
The InChIKey is IPCJBPZJJAPQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O/c1-25-23(29)16-5-7-17(8-6-16)27-11-9-15(10-12-27)22-21-18(3-2-4-19(21)24)20-13-26-14-28(20)22/h2-8,13-15,22H,9-12H2,1H3,(H,25,29).
What are the key properties of 4-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-N-methylbenzamide?
4-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-N-methylbenzamide has a molecular weight of 390.46 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)piperidin-1-yl]-N-methylbenzamide is sourced from PubChem (CID 145172553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).