furan-3-yl-[(3S)-3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]methanone

C17H21N3O2 — CID 124875026

IUPACfuran-3-yl-[(3S)-3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccoc1)N1CCC[C@H](c2ncc3n2CCCC3)C1
InChIInChI=1S/C17H21N3O2/c21-17(14-6-9-22-12-14)19-7-3-4-13(11-19)16-18-10-15-5-1-2-8-20(15)16/h6,9-10,12-13H,1-5,7-8,11H2/t13-/m0/s1
InChIKeyLKHYTIHIAFZRMI-ZDUSSCGKSA-N
MW299.37 g/mol
LogP2.83
Rot. Bonds2

About furan-3-yl-[(3S)-3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]methanone

furan-3-yl-[(3S)-3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]methanone (PubChem CID 124875026) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is furan-3-yl-[(3S)-3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namefuran-3-yl-[(3S)-3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]methanone
PubChem CID124875026
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Namefuran-3-yl-[(3S)-3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccoc1)N1CCC[C@H](c2ncc3n2CCCC3)C1
InChIInChI=1S/C17H21N3O2/c21-17(14-6-9-22-12-14)19-7-3-4-13(11-19)16-18-10-15-5-1-2-8-20(15)16/h6,9-10,12-13H,1-5,7-8,11H2/t13-/m0/s1
InChIKeyLKHYTIHIAFZRMI-ZDUSSCGKSA-N
XLogP2.83
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of furan-3-yl-[(3S)-3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]methanone?
The IUPAC name of furan-3-yl-[(3S)-3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]methanone (CID 124875026) is furan-3-yl-[(3S)-3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for furan-3-yl-[(3S)-3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for furan-3-yl-[(3S)-3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]methanone is O=C(c1ccoc1)N1CCC[C@H](c2ncc3n2CCCC3)C1.
What is the InChIKey of furan-3-yl-[(3S)-3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]methanone?
The InChIKey is LKHYTIHIAFZRMI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H21N3O2/c21-17(14-6-9-22-12-14)19-7-3-4-13(11-19)16-18-10-15-5-1-2-8-20(15)16/h6,9-10,12-13H,1-5,7-8,11H2/t13-/m0/s1.
What are the key properties of furan-3-yl-[(3S)-3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]methanone?
furan-3-yl-[(3S)-3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]methanone has a molecular weight of 299.37 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for furan-3-yl-[(3S)-3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 124875026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).