tert-butyl (2R,5R)-5-(1,1-dimethyl-3-oxofuro[3,4-c]pyridin-4-yl)oxy-2-methylpiperidine-1-carboxylate

C20H28N2O5 — CID 118192296

IUPACtert-butyl (2R,5R)-5-(1,1-dimethyl-3-oxofuro[3,4-c]pyridin-4-yl)oxy-2-methylpiperidine-1-carboxylate
SMILESC[C@@H]1CC[C@@H](Oc2nccc3c2C(=O)OC3(C)C)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C20H28N2O5/c1-12-7-8-13(11-22(12)18(24)27-19(2,3)4)25-16-15-14(9-10-21-16)20(5,6)26-17(15)23/h9-10,12-13H,7-8,11H2,1-6H3/t12-,13-/m1/s1
InChIKeyUZOLEVYWRRDQEJ-CHWSQXEVSA-N
MW376.45 g/mol
LogP3.65
Rot. Bonds2

About tert-butyl (2R,5R)-5-(1,1-dimethyl-3-oxofuro[3,4-c]pyridin-4-yl)oxy-2-methylpiperidine-1-carboxylate

tert-butyl (2R,5R)-5-(1,1-dimethyl-3-oxofuro[3,4-c]pyridin-4-yl)oxy-2-methylpiperidine-1-carboxylate (PubChem CID 118192296) has the molecular formula C20H28N2O5 and a molecular weight of 376.45 g/mol. Its IUPAC name is tert-butyl (2R,5R)-5-(1,1-dimethyl-3-oxofuro[3,4-c]pyridin-4-yl)oxy-2-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,5R)-5-(1,1-dimethyl-3-oxofuro[3,4-c]pyridin-4-yl)oxy-2-methylpiperidine-1-carboxylate
PubChem CID118192296
Molecular FormulaC20H28N2O5
Molecular Weight376.45 g/mol
Exact Mass376.20
IUPAC Nametert-butyl (2R,5R)-5-(1,1-dimethyl-3-oxofuro[3,4-c]pyridin-4-yl)oxy-2-methylpiperidine-1-carboxylate
SMILESC[C@@H]1CC[C@@H](Oc2nccc3c2C(=O)OC3(C)C)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C20H28N2O5/c1-12-7-8-13(11-22(12)18(24)27-19(2,3)4)25-16-15-14(9-10-21-16)20(5,6)26-17(15)23/h9-10,12-13H,7-8,11H2,1-6H3/t12-,13-/m1/s1
InChIKeyUZOLEVYWRRDQEJ-CHWSQXEVSA-N
XLogP3.65
TPSA77.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze tert-butyl (2R,5R)-5-(1,1-dimethyl-3-oxofuro[3,4-c]pyridin-4-yl)oxy-2-methylpiperidine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

4-[(3R,6R)-1-[4-chloro-2-(triazol-2-yl)benzoyl]-6-methylpiperidin-3-yl]oxy-1,1-dimethylfuro[3,4-c]pyridin-3-one
CID 118175281
tert-butyl 5-[(3-methoxy-4-methyl-2-pyridinyl)oxy]-2-methylpiperidine-1-carboxylate
CID 123997862
methyl 4-iodo-2-[6-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]oxypyridine-3-carboxylate
CID 90102185
[(2S,5R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-hydroxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;deuterioethane;[(2S,5R)-5-hydroxy-2-(hydroxymethyl)piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;4-[(3R,6S)-6-(hydroxymethyl)-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxy-1,1-dimethylfuro[3,4-c]pyridin-3-one;methane
CID 159410834
tert-butyl (3R)-3-[(3-bromo-2-pyridinyl)oxy]pyrrolidine-1-carboxylate
CID 97102850
tert-butyl 4-methyl-8-oxa-3-azabicyclo[5.1.0]octane-3-carboxylate
CID 118638107
tert-butyl (2S,5S)-5-bromo-2-methylpiperidine-1-carboxylate
CID 178196758
tert-butyl (2S)-4-(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-ylidene)-2-methylpiperidine-1-carboxylate
CID 169138133
tert-butyl (2S,5R)-2-methyl-5-[(2-methyl-4-pyridinyl)methyl]piperidine-1-carboxylate
CID 163906007
tert-butyl (3R)-3-[(3-hydroxy-2-pyridinyl)oxy]piperidine-1-carboxylate
CID 71630690
tert-butyl 3-isoquinolin-1-yloxypiperidine-1-carboxylate
CID 118114502
tert-butyl (3S)-3-(3-methylpyrazin-2-yl)oxypiperidine-1-carboxylate
CID 71634822

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,5R)-5-(1,1-dimethyl-3-oxofuro[3,4-c]pyridin-4-yl)oxy-2-methylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl (2R,5R)-5-(1,1-dimethyl-3-oxofuro[3,4-c]pyridin-4-yl)oxy-2-methylpiperidine-1-carboxylate (CID 118192296) is tert-butyl (2R,5R)-5-(1,1-dimethyl-3-oxofuro[3,4-c]pyridin-4-yl)oxy-2-methylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R,5R)-5-(1,1-dimethyl-3-oxofuro[3,4-c]pyridin-4-yl)oxy-2-methylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R,5R)-5-(1,1-dimethyl-3-oxofuro[3,4-c]pyridin-4-yl)oxy-2-methylpiperidine-1-carboxylate is C[C@@H]1CC[C@@H](Oc2nccc3c2C(=O)OC3(C)C)CN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R,5R)-5-(1,1-dimethyl-3-oxofuro[3,4-c]pyridin-4-yl)oxy-2-methylpiperidine-1-carboxylate?
The InChIKey is UZOLEVYWRRDQEJ-CHWSQXEVSA-N. The full InChI is InChI=1S/C20H28N2O5/c1-12-7-8-13(11-22(12)18(24)27-19(2,3)4)25-16-15-14(9-10-21-16)20(5,6)26-17(15)23/h9-10,12-13H,7-8,11H2,1-6H3/t12-,13-/m1/s1.
What are the key properties of tert-butyl (2R,5R)-5-(1,1-dimethyl-3-oxofuro[3,4-c]pyridin-4-yl)oxy-2-methylpiperidine-1-carboxylate?
tert-butyl (2R,5R)-5-(1,1-dimethyl-3-oxofuro[3,4-c]pyridin-4-yl)oxy-2-methylpiperidine-1-carboxylate has a molecular weight of 376.45 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,5R)-5-(1,1-dimethyl-3-oxofuro[3,4-c]pyridin-4-yl)oxy-2-methylpiperidine-1-carboxylate is sourced from PubChem (CID 118192296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).