1-(2,6-dimethylpiperidin-1-yl)-3-[5-(4-fluorophenyl)imidazo[1,2-b]isoindol-5-yl]propan-1-one

C26H28FN3O — CID 58415521

IUPAC1-(2,6-dimethylpiperidin-1-yl)-3-[5-(4-fluorophenyl)imidazo[1,2-b]isoindol-5-yl]propan-1-one
SMILESCC1CCCC(C)N1C(=O)CCC1(c2ccc(F)cc2)c2ccccc2-c2nccn21
InChIInChI=1S/C26H28FN3O/c1-18-6-5-7-19(2)30(18)24(31)14-15-26(20-10-12-21(27)13-11-20)23-9-4-3-8-22(23)25-28-16-17-29(25)26/h3-4,8-13,16-19H,5-7,14-15H2,1-2H3
InChIKeyCUYAQYIWEXYHAP-UHFFFAOYSA-N
MW417.53 g/mol
LogP5.36
Rot. Bonds4

About 1-(2,6-dimethylpiperidin-1-yl)-3-[5-(4-fluorophenyl)imidazo[1,2-b]isoindol-5-yl]propan-1-one

1-(2,6-dimethylpiperidin-1-yl)-3-[5-(4-fluorophenyl)imidazo[1,2-b]isoindol-5-yl]propan-1-one (PubChem CID 58415521) has the molecular formula C26H28FN3O and a molecular weight of 417.53 g/mol. Its IUPAC name is 1-(2,6-dimethylpiperidin-1-yl)-3-[5-(4-fluorophenyl)imidazo[1,2-b]isoindol-5-yl]propan-1-one.

Molecular Properties

Compound Name1-(2,6-dimethylpiperidin-1-yl)-3-[5-(4-fluorophenyl)imidazo[1,2-b]isoindol-5-yl]propan-1-one
PubChem CID58415521
Molecular FormulaC26H28FN3O
Molecular Weight417.53 g/mol
Exact Mass417.22
IUPAC Name1-(2,6-dimethylpiperidin-1-yl)-3-[5-(4-fluorophenyl)imidazo[1,2-b]isoindol-5-yl]propan-1-one
SMILESCC1CCCC(C)N1C(=O)CCC1(c2ccc(F)cc2)c2ccccc2-c2nccn21
InChIInChI=1S/C26H28FN3O/c1-18-6-5-7-19(2)30(18)24(31)14-15-26(20-10-12-21(27)13-11-20)23-9-4-3-8-22(23)25-28-16-17-29(25)26/h3-4,8-13,16-19H,5-7,14-15H2,1-2H3
InChIKeyCUYAQYIWEXYHAP-UHFFFAOYSA-N
XLogP5.36
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.53
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylpiperidin-1-yl)-3-[5-(4-fluorophenyl)imidazo[1,2-b]isoindol-5-yl]propan-1-one?
The IUPAC name of 1-(2,6-dimethylpiperidin-1-yl)-3-[5-(4-fluorophenyl)imidazo[1,2-b]isoindol-5-yl]propan-1-one (CID 58415521) is 1-(2,6-dimethylpiperidin-1-yl)-3-[5-(4-fluorophenyl)imidazo[1,2-b]isoindol-5-yl]propan-1-one.
What is the SMILES notation for 1-(2,6-dimethylpiperidin-1-yl)-3-[5-(4-fluorophenyl)imidazo[1,2-b]isoindol-5-yl]propan-1-one?
The canonical SMILES for 1-(2,6-dimethylpiperidin-1-yl)-3-[5-(4-fluorophenyl)imidazo[1,2-b]isoindol-5-yl]propan-1-one is CC1CCCC(C)N1C(=O)CCC1(c2ccc(F)cc2)c2ccccc2-c2nccn21.
What is the InChIKey of 1-(2,6-dimethylpiperidin-1-yl)-3-[5-(4-fluorophenyl)imidazo[1,2-b]isoindol-5-yl]propan-1-one?
The InChIKey is CUYAQYIWEXYHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN3O/c1-18-6-5-7-19(2)30(18)24(31)14-15-26(20-10-12-21(27)13-11-20)23-9-4-3-8-22(23)25-28-16-17-29(25)26/h3-4,8-13,16-19H,5-7,14-15H2,1-2H3.
What are the key properties of 1-(2,6-dimethylpiperidin-1-yl)-3-[5-(4-fluorophenyl)imidazo[1,2-b]isoindol-5-yl]propan-1-one?
1-(2,6-dimethylpiperidin-1-yl)-3-[5-(4-fluorophenyl)imidazo[1,2-b]isoindol-5-yl]propan-1-one has a molecular weight of 417.53 g/mol, XLogP of 5.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylpiperidin-1-yl)-3-[5-(4-fluorophenyl)imidazo[1,2-b]isoindol-5-yl]propan-1-one is sourced from PubChem (CID 58415521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).