tert-butyl N-[1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanoyl]piperidin-4-yl]carbamate

C20H29N5O3 — CID 71829080

IUPACtert-butyl N-[1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanoyl]piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(C(=O)CCCc2nnc3ccccn23)CC1
InChIInChI=1S/C20H29N5O3/c1-20(2,3)28-19(27)21-15-10-13-24(14-11-15)18(26)9-6-8-17-23-22-16-7-4-5-12-25(16)17/h4-5,7,12,15H,6,8-11,13-14H2,1-3H3,(H,21,27)
InChIKeyYUWZOWQEQMFABL-UHFFFAOYSA-N
MW387.48 g/mol
LogP2.57
Rot. Bonds5

About tert-butyl N-[1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanoyl]piperidin-4-yl]carbamate

tert-butyl N-[1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanoyl]piperidin-4-yl]carbamate (PubChem CID 71829080) has the molecular formula C20H29N5O3 and a molecular weight of 387.48 g/mol. Its IUPAC name is tert-butyl N-[1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanoyl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanoyl]piperidin-4-yl]carbamate
PubChem CID71829080
Molecular FormulaC20H29N5O3
Molecular Weight387.48 g/mol
Exact Mass387.23
IUPAC Nametert-butyl N-[1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanoyl]piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(C(=O)CCCc2nnc3ccccn23)CC1
InChIInChI=1S/C20H29N5O3/c1-20(2,3)28-19(27)21-15-10-13-24(14-11-15)18(26)9-6-8-17-23-22-16-7-4-5-12-25(16)17/h4-5,7,12,15H,6,8-11,13-14H2,1-3H3,(H,21,27)
InChIKeyYUWZOWQEQMFABL-UHFFFAOYSA-N
XLogP2.57
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanoyl]piperidin-4-yl]carbamate with MolForge

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Related Compounds

tert-butyl N-[(1R,2R)-2-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethylcarbamoyl]cyclooctyl]carbamate
CID 96540508
tert-butyl N-[1-[3-(4-propan-2-ylphenyl)propanoyl]piperidin-4-yl]carbamate
CID 55868243
tert-butyl 3-[[N-ethyl-N'-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]carbamimidoyl]amino]azetidine-1-carboxylate;hydroiodide
CID 109465929
tert-butyl N-(1-butanoylpiperidin-4-yl)carbamate
CID 52622771
tert-butyl N-[1-(3-chloropropanoyl)piperidin-4-yl]carbamate
CID 124703982
4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-4-oxobutanoic acid
CID 25250198
ethyl 4-[[N'-methyl-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111765848
1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butan-1-one
CID 71829237
tert-butyl N-[1-(3-nitroimidazo[1,2-a]pyridin-2-yl)piperidin-4-yl]carbamate
CID 60507246
tert-butyl N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)oxan-4-yl]carbamate
CID 168894294
tert-butyl 4-[N'-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]carbamimidoyl]piperazine-1-carboxylate;hydroiodide
CID 111033920
tert-butyl N-[3-oxo-3-[4-[(4-pyrrol-1-ylbenzoyl)amino]piperidin-1-yl]propyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanoyl]piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanoyl]piperidin-4-yl]carbamate (CID 71829080) is tert-butyl N-[1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanoyl]piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanoyl]piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanoyl]piperidin-4-yl]carbamate is CC(C)(C)OC(=O)NC1CCN(C(=O)CCCc2nnc3ccccn23)CC1.
What is the InChIKey of tert-butyl N-[1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanoyl]piperidin-4-yl]carbamate?
The InChIKey is YUWZOWQEQMFABL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O3/c1-20(2,3)28-19(27)21-15-10-13-24(14-11-15)18(26)9-6-8-17-23-22-16-7-4-5-12-25(16)17/h4-5,7,12,15H,6,8-11,13-14H2,1-3H3,(H,21,27).
What are the key properties of tert-butyl N-[1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanoyl]piperidin-4-yl]carbamate?
tert-butyl N-[1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanoyl]piperidin-4-yl]carbamate has a molecular weight of 387.48 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanoyl]piperidin-4-yl]carbamate is sourced from PubChem (CID 71829080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).