tert-butyl 3-(2-azidoimidazo[4,5-c]pyridin-3-yl)piperidine-1-carboxylate

C16H21N7O2 — CID 118223778

IUPACtert-butyl 3-(2-azidoimidazo[4,5-c]pyridin-3-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(n2c(N=[N+]=[N-])nc3ccncc32)C1
InChIInChI=1S/C16H21N7O2/c1-16(2,3)25-15(24)22-8-4-5-11(10-22)23-13-9-18-7-6-12(13)19-14(23)20-21-17/h6-7,9,11H,4-5,8,10H2,1-3H3
InChIKeyAYKUFHHBQKAQCC-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.95
Rot. Bonds2

About tert-butyl 3-(2-azidoimidazo[4,5-c]pyridin-3-yl)piperidine-1-carboxylate

tert-butyl 3-(2-azidoimidazo[4,5-c]pyridin-3-yl)piperidine-1-carboxylate (PubChem CID 118223778) has the molecular formula C16H21N7O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is tert-butyl 3-(2-azidoimidazo[4,5-c]pyridin-3-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(2-azidoimidazo[4,5-c]pyridin-3-yl)piperidine-1-carboxylate
PubChem CID118223778
Molecular FormulaC16H21N7O2
Molecular Weight343.39 g/mol
Exact Mass343.18
IUPAC Nametert-butyl 3-(2-azidoimidazo[4,5-c]pyridin-3-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(n2c(N=[N+]=[N-])nc3ccncc32)C1
InChIInChI=1S/C16H21N7O2/c1-16(2,3)25-15(24)22-8-4-5-11(10-22)23-13-9-18-7-6-12(13)19-14(23)20-21-17/h6-7,9,11H,4-5,8,10H2,1-3H3
InChIKeyAYKUFHHBQKAQCC-UHFFFAOYSA-N
XLogP3.95
TPSA109.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 3-(3-bromopyrazolo[4,3-c]pyridin-1-yl)piperidine-1-carboxylate
CID 130248062
tert-butyl 3-[2-(3-methoxypropyl)benzimidazol-1-yl]piperidine-1-carboxylate
CID 66785841
tert-butyl 3-pyridin-4-ylpiperidine-1-carboxylate
CID 164734560
tert-butyl 3-[(4-methyl-3-pyridinyl)amino]piperidine-1-carboxylate
CID 63329515
tert-butyl 3-[3-(aminomethyl)-4-pyridinyl]pyrrolidine-1-carboxylate
CID 115051214
tert-butyl (3R)-3-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate
CID 59918926
tert-butyl 3-(5-bromoindazol-2-yl)piperidine-1-carboxylate
CID 175058391
tert-butyl 3-[(4-azidophenyl)methylamino]piperidine-1-carboxylate
CID 169325405
4-[1-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]pyrazolo[4,3-c]pyridin-3-yl]benzoic acid
CID 130248878
tert-butyl (3R)-3-(4-tert-butylpyrazol-1-yl)piperidine-1-carboxylate
CID 170927522
tert-butyl (3R)-3-(5-methyl-6-oxopyridazin-1-yl)piperidine-1-carboxylate
CID 166162680
tert-butyl 3-(5-methyl-6-oxopyridazin-1-yl)piperidine-1-carboxylate
CID 166162668

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(2-azidoimidazo[4,5-c]pyridin-3-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(2-azidoimidazo[4,5-c]pyridin-3-yl)piperidine-1-carboxylate (CID 118223778) is tert-butyl 3-(2-azidoimidazo[4,5-c]pyridin-3-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(2-azidoimidazo[4,5-c]pyridin-3-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(2-azidoimidazo[4,5-c]pyridin-3-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC(n2c(N=[N+]=[N-])nc3ccncc32)C1.
What is the InChIKey of tert-butyl 3-(2-azidoimidazo[4,5-c]pyridin-3-yl)piperidine-1-carboxylate?
The InChIKey is AYKUFHHBQKAQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N7O2/c1-16(2,3)25-15(24)22-8-4-5-11(10-22)23-13-9-18-7-6-12(13)19-14(23)20-21-17/h6-7,9,11H,4-5,8,10H2,1-3H3.
What are the key properties of tert-butyl 3-(2-azidoimidazo[4,5-c]pyridin-3-yl)piperidine-1-carboxylate?
tert-butyl 3-(2-azidoimidazo[4,5-c]pyridin-3-yl)piperidine-1-carboxylate has a molecular weight of 343.39 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(2-azidoimidazo[4,5-c]pyridin-3-yl)piperidine-1-carboxylate is sourced from PubChem (CID 118223778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).