tert-butyl 4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)piperidine-1-carboxylate

C17H27N3O2 — CID 23084266

IUPACtert-butyl 4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2cnc3n2CCCC3)CC1
InChIInChI=1S/C17H27N3O2/c1-17(2,3)22-16(21)19-10-7-13(8-11-19)14-12-18-15-6-4-5-9-20(14)15/h12-13H,4-11H2,1-3H3
InChIKeyKONFHAMBLPJVTQ-UHFFFAOYSA-N
MW305.42 g/mol
LogP3.33
Rot. Bonds1

About tert-butyl 4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)piperidine-1-carboxylate

tert-butyl 4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)piperidine-1-carboxylate (PubChem CID 23084266) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is tert-butyl 4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)piperidine-1-carboxylate
PubChem CID23084266
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Nametert-butyl 4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2cnc3n2CCCC3)CC1
InChIInChI=1S/C17H27N3O2/c1-17(2,3)22-16(21)19-10-7-13(8-11-19)14-12-18-15-6-4-5-9-20(14)15/h12-13H,4-11H2,1-3H3
InChIKeyKONFHAMBLPJVTQ-UHFFFAOYSA-N
XLogP3.33
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl 4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)piperidine-1-carboxylate (CID 23084266) is tert-butyl 4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(c2cnc3n2CCCC3)CC1.
What is the InChIKey of tert-butyl 4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)piperidine-1-carboxylate?
The InChIKey is KONFHAMBLPJVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-17(2,3)22-16(21)19-10-7-13(8-11-19)14-12-18-15-6-4-5-9-20(14)15/h12-13H,4-11H2,1-3H3.
What are the key properties of tert-butyl 4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)piperidine-1-carboxylate?
tert-butyl 4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)piperidine-1-carboxylate has a molecular weight of 305.42 g/mol, XLogP of 3.33, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)piperidine-1-carboxylate is sourced from PubChem (CID 23084266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).