tert-butyl (2S)-2-[(6,7,8-trimethylimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-1-carboxylate

C21H31N3O2 — CID 58477937

IUPACtert-butyl (2S)-2-[(6,7,8-trimethylimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-1-carboxylate
SMILESCc1cn2cc(C[C@@H]3CCCCN3C(=O)OC(C)(C)C)nc2c(C)c1C
InChIInChI=1S/C21H31N3O2/c1-14-12-23-13-17(22-19(23)16(3)15(14)2)11-18-9-7-8-10-24(18)20(25)26-21(4,5)6/h12-13,18H,7-11H2,1-6H3/t18-/m0/s1
InChIKeyRTYQEKOTUCZLPT-SFHVURJKSA-N
MW357.50 g/mol
LogP4.59
Rot. Bonds2

About tert-butyl (2S)-2-[(6,7,8-trimethylimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-1-carboxylate

tert-butyl (2S)-2-[(6,7,8-trimethylimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-1-carboxylate (PubChem CID 58477937) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is tert-butyl (2S)-2-[(6,7,8-trimethylimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-[(6,7,8-trimethylimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-1-carboxylate
PubChem CID58477937
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC Nametert-butyl (2S)-2-[(6,7,8-trimethylimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-1-carboxylate
SMILESCc1cn2cc(C[C@@H]3CCCCN3C(=O)OC(C)(C)C)nc2c(C)c1C
InChIInChI=1S/C21H31N3O2/c1-14-12-23-13-17(22-19(23)16(3)15(14)2)11-18-9-7-8-10-24(18)20(25)26-21(4,5)6/h12-13,18H,7-11H2,1-6H3/t18-/m0/s1
InChIKeyRTYQEKOTUCZLPT-SFHVURJKSA-N
XLogP4.59
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl (2S)-2-[(6,7,8-trimethylimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 2-[[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]methyl]piperidine-1-carboxylate
CID 77259439
tert-butyl (2S)-2-benzylpiperidine-1-carboxylate
CID 94006022
tert-butyl (2R)-2-benzylpiperidine-1-carboxylate
CID 67726841
tert-butyl (2R)-2-[(4,6-dimethylpyrimidin-2-yl)oxymethyl]piperidine-1-carboxylate
CID 86329095
tert-butyl (2R)-2-ethylpiperidine-1-carboxylate
CID 45095102
3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl]-1,2-oxazole-5-carboxylic acid
CID 175142002
tert-butyl 2-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidine-1-carboxylate
CID 175986606
tert-butyl (2S)-2-(hydroxymethyl)azocane-1-carboxylate
CID 130839341
tert-butyl (2R)-2-[[(R)-(4,6-dimethylpyrimidin-2-yl)sulfinyl]methyl]piperidine-1-carboxylate
CID 97176259
tert-butyl 2-[(3-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-1-carboxylate
CID 76562696
tert-butyl (2R)-2-[3-(4-chloro-5-methylpyrimidin-2-yl)oxypropyl]piperidine-1-carboxylate
CID 97176764
tert-butyl 2-propylpiperidine-1-carboxylate
CID 22620198

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-[(6,7,8-trimethylimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (2S)-2-[(6,7,8-trimethylimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-1-carboxylate (CID 58477937) is tert-butyl (2S)-2-[(6,7,8-trimethylimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-[(6,7,8-trimethylimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-[(6,7,8-trimethylimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-1-carboxylate is Cc1cn2cc(C[C@@H]3CCCCN3C(=O)OC(C)(C)C)nc2c(C)c1C.
What is the InChIKey of tert-butyl (2S)-2-[(6,7,8-trimethylimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-1-carboxylate?
The InChIKey is RTYQEKOTUCZLPT-SFHVURJKSA-N. The full InChI is InChI=1S/C21H31N3O2/c1-14-12-23-13-17(22-19(23)16(3)15(14)2)11-18-9-7-8-10-24(18)20(25)26-21(4,5)6/h12-13,18H,7-11H2,1-6H3/t18-/m0/s1.
What are the key properties of tert-butyl (2S)-2-[(6,7,8-trimethylimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-1-carboxylate?
tert-butyl (2S)-2-[(6,7,8-trimethylimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-1-carboxylate has a molecular weight of 357.50 g/mol, XLogP of 4.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-[(6,7,8-trimethylimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 58477937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).