piperidin-1-yl-(3-thiophen-3-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)methanone

C17H21N3OS — CID 91924461

IUPACpiperidin-1-yl-(3-thiophen-3-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)methanone
SMILESO=C(C1CCc2ncc(-c3ccsc3)n2C1)N1CCCCC1
InChIInChI=1S/C17H21N3OS/c21-17(19-7-2-1-3-8-19)13-4-5-16-18-10-15(20(16)11-13)14-6-9-22-12-14/h6,9-10,12-13H,1-5,7-8,11H2
InChIKeyAXHPUHJAFOSASD-UHFFFAOYSA-N
MW315.44 g/mol
LogP3.19
Rot. Bonds2

About piperidin-1-yl-(3-thiophen-3-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)methanone

piperidin-1-yl-(3-thiophen-3-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)methanone (PubChem CID 91924461) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is piperidin-1-yl-(3-thiophen-3-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)methanone.

Molecular Properties

Compound Namepiperidin-1-yl-(3-thiophen-3-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)methanone
PubChem CID91924461
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC Namepiperidin-1-yl-(3-thiophen-3-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)methanone
SMILESO=C(C1CCc2ncc(-c3ccsc3)n2C1)N1CCCCC1
InChIInChI=1S/C17H21N3OS/c21-17(19-7-2-1-3-8-19)13-4-5-16-18-10-15(20(16)11-13)14-6-9-22-12-14/h6,9-10,12-13H,1-5,7-8,11H2
InChIKeyAXHPUHJAFOSASD-UHFFFAOYSA-N
XLogP3.19
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl-(3-thiophen-3-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)methanone?
The IUPAC name of piperidin-1-yl-(3-thiophen-3-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)methanone (CID 91924461) is piperidin-1-yl-(3-thiophen-3-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)methanone.
What is the SMILES notation for piperidin-1-yl-(3-thiophen-3-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)methanone?
The canonical SMILES for piperidin-1-yl-(3-thiophen-3-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)methanone is O=C(C1CCc2ncc(-c3ccsc3)n2C1)N1CCCCC1.
What is the InChIKey of piperidin-1-yl-(3-thiophen-3-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)methanone?
The InChIKey is AXHPUHJAFOSASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS/c21-17(19-7-2-1-3-8-19)13-4-5-16-18-10-15(20(16)11-13)14-6-9-22-12-14/h6,9-10,12-13H,1-5,7-8,11H2.
What are the key properties of piperidin-1-yl-(3-thiophen-3-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)methanone?
piperidin-1-yl-(3-thiophen-3-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)methanone has a molecular weight of 315.44 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl-(3-thiophen-3-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)methanone is sourced from PubChem (CID 91924461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).