tert-butyl 4-(3-methylimidazo[1,2-a]pyridin-7-yl)piperidine-1-carboxylate

C18H25N3O2 — CID 144544784

IUPACtert-butyl 4-(3-methylimidazo[1,2-a]pyridin-7-yl)piperidine-1-carboxylate
SMILESCc1cnc2cc(C3CCN(C(=O)OC(C)(C)C)CC3)ccn12
InChIInChI=1S/C18H25N3O2/c1-13-12-19-16-11-15(7-10-21(13)16)14-5-8-20(9-6-14)17(22)23-18(2,3)4/h7,10-12,14H,5-6,8-9H2,1-4H3
InChIKeyFCDKNOFHSVZRDK-UHFFFAOYSA-N
MW315.42 g/mol
LogP3.76
Rot. Bonds1

About tert-butyl 4-(3-methylimidazo[1,2-a]pyridin-7-yl)piperidine-1-carboxylate

tert-butyl 4-(3-methylimidazo[1,2-a]pyridin-7-yl)piperidine-1-carboxylate (PubChem CID 144544784) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is tert-butyl 4-(3-methylimidazo[1,2-a]pyridin-7-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(3-methylimidazo[1,2-a]pyridin-7-yl)piperidine-1-carboxylate
PubChem CID144544784
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Nametert-butyl 4-(3-methylimidazo[1,2-a]pyridin-7-yl)piperidine-1-carboxylate
SMILESCc1cnc2cc(C3CCN(C(=O)OC(C)(C)C)CC3)ccn12
InChIInChI=1S/C18H25N3O2/c1-13-12-19-16-11-15(7-10-21(13)16)14-5-8-20(9-6-14)17(22)23-18(2,3)4/h7,10-12,14H,5-6,8-9H2,1-4H3
InChIKeyFCDKNOFHSVZRDK-UHFFFAOYSA-N
XLogP3.76
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyridine-2-carboxylic acid
CID 74788423
2-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]benzoic acid
CID 134159389
tert-butyl 4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)piperidine-1-carboxylate
CID 168797719
tert-butyl 4-(5,6-diamino-3-pyridinyl)piperidine-1-carboxylate;ethane
CID 144686665
tert-butyl 4-quinolin-3-ylpiperidine-1-carboxylate
CID 102136032
tert-butyl 4-(3-methylimidazo[1,2-a]pyridin-7-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;ethane;ethene
CID 166116770
ethyl 5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 177168423
tert-butyl 4-(4-isocyano-3-methylphenyl)piperidine-1-carboxylate
CID 58559209
tert-butyl 4-(4-formyl-3-methylphenyl)piperidine-1-carboxylate
CID 130199926
tert-butyl 4-[2-(2,4-dimethylpentan-3-yl)-4-pyridinyl]piperidine-1-carboxylate
CID 165372589
tert-butyl 4-(3-fluoro-4-hydroxyphenyl)piperidine-1-carboxylate
CID 135194075
tert-butyl 4-(5-iodo-3-pyridinyl)piperidine-1-carboxylate
CID 91663948

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(3-methylimidazo[1,2-a]pyridin-7-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(3-methylimidazo[1,2-a]pyridin-7-yl)piperidine-1-carboxylate (CID 144544784) is tert-butyl 4-(3-methylimidazo[1,2-a]pyridin-7-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(3-methylimidazo[1,2-a]pyridin-7-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(3-methylimidazo[1,2-a]pyridin-7-yl)piperidine-1-carboxylate is Cc1cnc2cc(C3CCN(C(=O)OC(C)(C)C)CC3)ccn12.
What is the InChIKey of tert-butyl 4-(3-methylimidazo[1,2-a]pyridin-7-yl)piperidine-1-carboxylate?
The InChIKey is FCDKNOFHSVZRDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-13-12-19-16-11-15(7-10-21(13)16)14-5-8-20(9-6-14)17(22)23-18(2,3)4/h7,10-12,14H,5-6,8-9H2,1-4H3.
What are the key properties of tert-butyl 4-(3-methylimidazo[1,2-a]pyridin-7-yl)piperidine-1-carboxylate?
tert-butyl 4-(3-methylimidazo[1,2-a]pyridin-7-yl)piperidine-1-carboxylate has a molecular weight of 315.42 g/mol, XLogP of 3.76, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(3-methylimidazo[1,2-a]pyridin-7-yl)piperidine-1-carboxylate is sourced from PubChem (CID 144544784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).