tert-butyl 4-(triazolo[1,5-a]pyridin-5-yl)piperidine-1-carboxylate

C16H22N4O2 — CID 90066690

IUPACtert-butyl 4-(triazolo[1,5-a]pyridin-5-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2ccn3nncc3c2)CC1
InChIInChI=1S/C16H22N4O2/c1-16(2,3)22-15(21)19-7-4-12(5-8-19)13-6-9-20-14(10-13)11-17-18-20/h6,9-12H,4-5,7-8H2,1-3H3
InChIKeyZLPISWMLAHNCFQ-UHFFFAOYSA-N
MW302.38 g/mol
LogP2.84
Rot. Bonds1

About tert-butyl 4-(triazolo[1,5-a]pyridin-5-yl)piperidine-1-carboxylate

tert-butyl 4-(triazolo[1,5-a]pyridin-5-yl)piperidine-1-carboxylate (PubChem CID 90066690) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is tert-butyl 4-(triazolo[1,5-a]pyridin-5-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(triazolo[1,5-a]pyridin-5-yl)piperidine-1-carboxylate
PubChem CID90066690
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Nametert-butyl 4-(triazolo[1,5-a]pyridin-5-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2ccn3nncc3c2)CC1
InChIInChI=1S/C16H22N4O2/c1-16(2,3)22-15(21)19-7-4-12(5-8-19)13-6-9-20-14(10-13)11-17-18-20/h6,9-12H,4-5,7-8H2,1-3H3
InChIKeyZLPISWMLAHNCFQ-UHFFFAOYSA-N
XLogP2.84
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(triazolo[1,5-a]pyridin-5-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(triazolo[1,5-a]pyridin-5-yl)piperidine-1-carboxylate (CID 90066690) is tert-butyl 4-(triazolo[1,5-a]pyridin-5-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(triazolo[1,5-a]pyridin-5-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(triazolo[1,5-a]pyridin-5-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(c2ccn3nncc3c2)CC1.
What is the InChIKey of tert-butyl 4-(triazolo[1,5-a]pyridin-5-yl)piperidine-1-carboxylate?
The InChIKey is ZLPISWMLAHNCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-16(2,3)22-15(21)19-7-4-12(5-8-19)13-6-9-20-14(10-13)11-17-18-20/h6,9-12H,4-5,7-8H2,1-3H3.
What are the key properties of tert-butyl 4-(triazolo[1,5-a]pyridin-5-yl)piperidine-1-carboxylate?
tert-butyl 4-(triazolo[1,5-a]pyridin-5-yl)piperidine-1-carboxylate has a molecular weight of 302.38 g/mol, XLogP of 2.84, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(triazolo[1,5-a]pyridin-5-yl)piperidine-1-carboxylate is sourced from PubChem (CID 90066690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).