tert-butyl 4-[ethyl-[furo[3,2-c]pyridin-2-yl(1,2,4-oxadiazol-5-yl)methyl]amino]piperidine-1-carboxylate

C22H29N5O4 — CID 90848908

IUPACtert-butyl 4-[ethyl-[furo[3,2-c]pyridin-2-yl(1,2,4-oxadiazol-5-yl)methyl]amino]piperidine-1-carboxylate
SMILESCCN(C1CCN(C(=O)OC(C)(C)C)CC1)C(c1cc2cnccc2o1)c1ncno1
InChIInChI=1S/C22H29N5O4/c1-5-27(16-7-10-26(11-8-16)21(28)30-22(2,3)4)19(20-24-14-25-31-20)18-12-15-13-23-9-6-17(15)29-18/h6,9,12-14,16,19H,5,7-8,10-11H2,1-4H3
InChIKeyBIMOQVTZGJRRBG-UHFFFAOYSA-N
MW427.51 g/mol
LogP4.02
Rot. Bonds5

About tert-butyl 4-[ethyl-[furo[3,2-c]pyridin-2-yl(1,2,4-oxadiazol-5-yl)methyl]amino]piperidine-1-carboxylate

tert-butyl 4-[ethyl-[furo[3,2-c]pyridin-2-yl(1,2,4-oxadiazol-5-yl)methyl]amino]piperidine-1-carboxylate (PubChem CID 90848908) has the molecular formula C22H29N5O4 and a molecular weight of 427.51 g/mol. Its IUPAC name is tert-butyl 4-[ethyl-[furo[3,2-c]pyridin-2-yl(1,2,4-oxadiazol-5-yl)methyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[ethyl-[furo[3,2-c]pyridin-2-yl(1,2,4-oxadiazol-5-yl)methyl]amino]piperidine-1-carboxylate
PubChem CID90848908
Molecular FormulaC22H29N5O4
Molecular Weight427.51 g/mol
Exact Mass427.22
IUPAC Nametert-butyl 4-[ethyl-[furo[3,2-c]pyridin-2-yl(1,2,4-oxadiazol-5-yl)methyl]amino]piperidine-1-carboxylate
SMILESCCN(C1CCN(C(=O)OC(C)(C)C)CC1)C(c1cc2cnccc2o1)c1ncno1
InChIInChI=1S/C22H29N5O4/c1-5-27(16-7-10-26(11-8-16)21(28)30-22(2,3)4)19(20-24-14-25-31-20)18-12-15-13-23-9-6-17(15)29-18/h6,9,12-14,16,19H,5,7-8,10-11H2,1-4H3
InChIKeyBIMOQVTZGJRRBG-UHFFFAOYSA-N
XLogP4.02
TPSA97.73 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze tert-butyl 4-[ethyl-[furo[3,2-c]pyridin-2-yl(1,2,4-oxadiazol-5-yl)methyl]amino]piperidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 4-(furo[3,2-c]pyridine-2-carbonylsulfanyl)piperidine-1-carboxylate
CID 11494262
tert-butyl 4-[2-([1,3]oxazolo[4,5-c]pyridin-2-yl)ethenyl]piperidine-1-carboxylate
CID 68946388
tert-butyl 2-furo[3,2-c]pyridin-2-ylpyrrolidine-1-carboxylate
CID 19597717
butan-2-yl 4-[furo[3,2-c]pyridin-2-yl(1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carboxylate
CID 91216946
tert-butyl 4-[(2-pyridin-3-yloxyacetyl)amino]piperidine-1-carboxylate
CID 69321662
propyl 4-[furo[3,2-c]pyridin-2-yl(1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carboxylate
CID 91030773
tert-butyl 4-(2-pyridin-4-ylethenyl)piperidine-1-carboxylate
CID 67067068
tert-butyl 4-[methyl-[3-(2-methylbutan-2-ylamino)-2-pyridinyl]amino]piperidine-1-carboxylate
CID 10762096
tert-butyl 4-[1-(1-benzofuran-2-yl)ethylcarbamoyl]piperidine-1-carboxylate
CID 46612716
tert-butyl 4-[ethyl-[(3R,4S)-4-hydroxyoxolan-3-yl]amino]piperidine-1-carboxylate
CID 126846134
tert-butyl (3S)-3-(2-pyrimidin-5-ylethenyl)pyrrolidine-1-carboxylate
CID 67382808
tert-butyl 4-ethylpiperidine-1-carboxylate;4-ethylpyridine
CID 123647865

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[ethyl-[furo[3,2-c]pyridin-2-yl(1,2,4-oxadiazol-5-yl)methyl]amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[ethyl-[furo[3,2-c]pyridin-2-yl(1,2,4-oxadiazol-5-yl)methyl]amino]piperidine-1-carboxylate (CID 90848908) is tert-butyl 4-[ethyl-[furo[3,2-c]pyridin-2-yl(1,2,4-oxadiazol-5-yl)methyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[ethyl-[furo[3,2-c]pyridin-2-yl(1,2,4-oxadiazol-5-yl)methyl]amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[ethyl-[furo[3,2-c]pyridin-2-yl(1,2,4-oxadiazol-5-yl)methyl]amino]piperidine-1-carboxylate is CCN(C1CCN(C(=O)OC(C)(C)C)CC1)C(c1cc2cnccc2o1)c1ncno1.
What is the InChIKey of tert-butyl 4-[ethyl-[furo[3,2-c]pyridin-2-yl(1,2,4-oxadiazol-5-yl)methyl]amino]piperidine-1-carboxylate?
The InChIKey is BIMOQVTZGJRRBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O4/c1-5-27(16-7-10-26(11-8-16)21(28)30-22(2,3)4)19(20-24-14-25-31-20)18-12-15-13-23-9-6-17(15)29-18/h6,9,12-14,16,19H,5,7-8,10-11H2,1-4H3.
What are the key properties of tert-butyl 4-[ethyl-[furo[3,2-c]pyridin-2-yl(1,2,4-oxadiazol-5-yl)methyl]amino]piperidine-1-carboxylate?
tert-butyl 4-[ethyl-[furo[3,2-c]pyridin-2-yl(1,2,4-oxadiazol-5-yl)methyl]amino]piperidine-1-carboxylate has a molecular weight of 427.51 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[ethyl-[furo[3,2-c]pyridin-2-yl(1,2,4-oxadiazol-5-yl)methyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 90848908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).