tert-butyl 4-[2-(oxetan-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperidine-1-carboxylate

C20H27N3O3 — CID 162748913

IUPACtert-butyl 4-[2-(oxetan-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2ccnc3[nH]c(C4COC4)cc23)CC1
InChIInChI=1S/C20H27N3O3/c1-20(2,3)26-19(24)23-8-5-13(6-9-23)15-4-7-21-18-16(15)10-17(22-18)14-11-25-12-14/h4,7,10,13-14H,5-6,8-9,11-12H2,1-3H3,(H,21,22)
InChIKeyNMHVQTCFWAVXDY-UHFFFAOYSA-N
MW357.45 g/mol
LogP3.79
Rot. Bonds2

About tert-butyl 4-[2-(oxetan-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperidine-1-carboxylate

tert-butyl 4-[2-(oxetan-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperidine-1-carboxylate (PubChem CID 162748913) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is tert-butyl 4-[2-(oxetan-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-(oxetan-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperidine-1-carboxylate
PubChem CID162748913
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Nametert-butyl 4-[2-(oxetan-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(c2ccnc3[nH]c(C4COC4)cc23)CC1
InChIInChI=1S/C20H27N3O3/c1-20(2,3)26-19(24)23-8-5-13(6-9-23)15-4-7-21-18-16(15)10-17(22-18)14-11-25-12-14/h4,7,10,13-14H,5-6,8-9,11-12H2,1-3H3,(H,21,22)
InChIKeyNMHVQTCFWAVXDY-UHFFFAOYSA-N
XLogP3.79
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 4-[2-(oxetan-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 4-(4-bromo-1H-pyrrolo[2,3-b]pyridin-2-yl)piperidine-1-carboxylate
CID 132820170
tert-butyl N-[2-[4-[2-(1-methylpiperidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperidine-1-carbonyl]-5-(trifluoromethoxy)phenyl]carbamate
CID 162748755
tert-butyl 4-[4-[3-chloro-6-[(5-fluoro-3-pyridinyl)methylamino]-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidine-1-carboxylate
CID 90413515
tert-butyl 4-[4-[2,4-difluoro-5-[(3-fluorophenyl)methylamino]phenyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidine-1-carboxylate
CID 90419632
tert-butyl 4-(1,3-oxazol-2-yl)piperidine-1-carboxylate
CID 131229980
4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyridine-2-carboxylic acid
CID 74788423
tert-butyl 4-(8-aminoquinolin-5-yl)piperidine-1-carboxylate
CID 178017330
tert-butyl 4-pyridin-2-ylpiperidine-1-carboxylate
CID 11108143
tert-butyl 4-(3-methyl-6-oxo-5H-pyrido[2,3-b]pyrazin-7-yl)piperidine-1-carboxylate;ethane
CID 176552618
tert-butyl 4-(4-hydroxynaphthalen-1-yl)piperidine-1-carboxylate
CID 130377896
tert-butyl 4-[2-(hydroxymethyl)furan-3-yl]piperidine-1-carboxylate
CID 58442831
tert-butyl 4-[2-(methylamino)pyrimidin-4-yl]piperidine-1-carboxylate
CID 162748495

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-(oxetan-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-(oxetan-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperidine-1-carboxylate (CID 162748913) is tert-butyl 4-[2-(oxetan-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-(oxetan-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-(oxetan-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(c2ccnc3[nH]c(C4COC4)cc23)CC1.
What is the InChIKey of tert-butyl 4-[2-(oxetan-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperidine-1-carboxylate?
The InChIKey is NMHVQTCFWAVXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-20(2,3)26-19(24)23-8-5-13(6-9-23)15-4-7-21-18-16(15)10-17(22-18)14-11-25-12-14/h4,7,10,13-14H,5-6,8-9,11-12H2,1-3H3,(H,21,22).
What are the key properties of tert-butyl 4-[2-(oxetan-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperidine-1-carboxylate?
tert-butyl 4-[2-(oxetan-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperidine-1-carboxylate has a molecular weight of 357.45 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-(oxetan-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]piperidine-1-carboxylate is sourced from PubChem (CID 162748913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).