tert-butyl 4-[2-ethoxy-1-(4-furo[2,3-b]pyridin-3-yl-3,6-dihydro-2H-pyridin-1-yl)-2-oxoethyl]piperidine-1-carboxylate

C26H35N3O5 — CID 58617638

IUPACtert-butyl 4-[2-ethoxy-1-(4-furo[2,3-b]pyridin-3-yl-3,6-dihydro-2H-pyridin-1-yl)-2-oxoethyl]piperidine-1-carboxylate
SMILESCCOC(=O)C(C1CCN(C(=O)OC(C)(C)C)CC1)N1CC=C(c2coc3ncccc23)CC1
InChIInChI=1S/C26H35N3O5/c1-5-32-24(30)22(19-10-15-29(16-11-19)25(31)34-26(2,3)4)28-13-8-18(9-14-28)21-17-33-23-20(21)7-6-12-27-23/h6-8,12,17,19,22H,5,9-11,13-16H2,1-4H3
InChIKeyPTAWYAOEYIOYAA-UHFFFAOYSA-N
MW469.58 g/mol
LogP4.50
Rot. Bonds5

About tert-butyl 4-[2-ethoxy-1-(4-furo[2,3-b]pyridin-3-yl-3,6-dihydro-2H-pyridin-1-yl)-2-oxoethyl]piperidine-1-carboxylate

tert-butyl 4-[2-ethoxy-1-(4-furo[2,3-b]pyridin-3-yl-3,6-dihydro-2H-pyridin-1-yl)-2-oxoethyl]piperidine-1-carboxylate (PubChem CID 58617638) has the molecular formula C26H35N3O5 and a molecular weight of 469.58 g/mol. Its IUPAC name is tert-butyl 4-[2-ethoxy-1-(4-furo[2,3-b]pyridin-3-yl-3,6-dihydro-2H-pyridin-1-yl)-2-oxoethyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-ethoxy-1-(4-furo[2,3-b]pyridin-3-yl-3,6-dihydro-2H-pyridin-1-yl)-2-oxoethyl]piperidine-1-carboxylate
PubChem CID58617638
Molecular FormulaC26H35N3O5
Molecular Weight469.58 g/mol
Exact Mass469.26
IUPAC Nametert-butyl 4-[2-ethoxy-1-(4-furo[2,3-b]pyridin-3-yl-3,6-dihydro-2H-pyridin-1-yl)-2-oxoethyl]piperidine-1-carboxylate
SMILESCCOC(=O)C(C1CCN(C(=O)OC(C)(C)C)CC1)N1CC=C(c2coc3ncccc23)CC1
InChIInChI=1S/C26H35N3O5/c1-5-32-24(30)22(19-10-15-29(16-11-19)25(31)34-26(2,3)4)28-13-8-18(9-14-28)21-17-33-23-20(21)7-6-12-27-23/h6-8,12,17,19,22H,5,9-11,13-16H2,1-4H3
InChIKeyPTAWYAOEYIOYAA-UHFFFAOYSA-N
XLogP4.50
TPSA85.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.58
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze tert-butyl 4-[2-ethoxy-1-(4-furo[2,3-b]pyridin-3-yl-3,6-dihydro-2H-pyridin-1-yl)-2-oxoethyl]piperidine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 4-[2-ethoxy-2-oxo-1-[4-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]piperidine-1-carboxylate
CID 58617606
tert-butyl 4-[2-ethoxy-2-oxo-1-[4-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]piperidine-1-carboxylate;tert-butyl 4-[2-hydroxy-1-[4-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]piperidine-1-carboxylate
CID 157353915
tert-butyl 4-thieno[2,3-b]pyridin-3-yl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 139630002
tert-butyl 4-aminopiperidine-1-carboxylate;2-methylpyridine
CID 153338980
tert-butyl 4-[1-(furan-3-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]piperidine-1-carboxylate;ethyl 4-[1-(furan-3-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]piperidine-1-carboxylate
CID 158982921
tert-butyl 4-(2-ethoxy-1-iodo-2-oxoethyl)piperidine-1-carboxylate
CID 45357856
tert-butyl 4-[1-(4-bromophenyl)-2-ethoxy-2-oxoethyl]piperidine-1-carboxylate
CID 121454620
tert-butyl 4-(1,2-diethoxy-2-oxoethyl)piperidine-1-carboxylate
CID 177337295
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-(1-amino-3-ethoxy-3-oxopropyl)piperidine-1-carboxylate;hydrochloride
CID 46738164
tert-butyl 4-isoquinolin-8-yl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 21070952

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-ethoxy-1-(4-furo[2,3-b]pyridin-3-yl-3,6-dihydro-2H-pyridin-1-yl)-2-oxoethyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-ethoxy-1-(4-furo[2,3-b]pyridin-3-yl-3,6-dihydro-2H-pyridin-1-yl)-2-oxoethyl]piperidine-1-carboxylate (CID 58617638) is tert-butyl 4-[2-ethoxy-1-(4-furo[2,3-b]pyridin-3-yl-3,6-dihydro-2H-pyridin-1-yl)-2-oxoethyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-ethoxy-1-(4-furo[2,3-b]pyridin-3-yl-3,6-dihydro-2H-pyridin-1-yl)-2-oxoethyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-ethoxy-1-(4-furo[2,3-b]pyridin-3-yl-3,6-dihydro-2H-pyridin-1-yl)-2-oxoethyl]piperidine-1-carboxylate is CCOC(=O)C(C1CCN(C(=O)OC(C)(C)C)CC1)N1CC=C(c2coc3ncccc23)CC1.
What is the InChIKey of tert-butyl 4-[2-ethoxy-1-(4-furo[2,3-b]pyridin-3-yl-3,6-dihydro-2H-pyridin-1-yl)-2-oxoethyl]piperidine-1-carboxylate?
The InChIKey is PTAWYAOEYIOYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O5/c1-5-32-24(30)22(19-10-15-29(16-11-19)25(31)34-26(2,3)4)28-13-8-18(9-14-28)21-17-33-23-20(21)7-6-12-27-23/h6-8,12,17,19,22H,5,9-11,13-16H2,1-4H3.
What are the key properties of tert-butyl 4-[2-ethoxy-1-(4-furo[2,3-b]pyridin-3-yl-3,6-dihydro-2H-pyridin-1-yl)-2-oxoethyl]piperidine-1-carboxylate?
tert-butyl 4-[2-ethoxy-1-(4-furo[2,3-b]pyridin-3-yl-3,6-dihydro-2H-pyridin-1-yl)-2-oxoethyl]piperidine-1-carboxylate has a molecular weight of 469.58 g/mol, XLogP of 4.50, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-ethoxy-1-(4-furo[2,3-b]pyridin-3-yl-3,6-dihydro-2H-pyridin-1-yl)-2-oxoethyl]piperidine-1-carboxylate is sourced from PubChem (CID 58617638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).