tert-butyl (3R)-3-(3-methoxyquinoxalin-2-yl)oxypiperidine-1-carboxylate

C19H25N3O4 — CID 71648506

IUPACtert-butyl (3R)-3-(3-methoxyquinoxalin-2-yl)oxypiperidine-1-carboxylate
SMILESCOc1nc2ccccc2nc1O[C@@H]1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C19H25N3O4/c1-19(2,3)26-18(23)22-11-7-8-13(12-22)25-17-16(24-4)20-14-9-5-6-10-15(14)21-17/h5-6,9-10,13H,7-8,11-12H2,1-4H3/t13-/m1/s1
InChIKeyVYJTZYCUEDOUDX-CYBMUJFWSA-N
MW359.43 g/mol
LogP3.42
Rot. Bonds3

About tert-butyl (3R)-3-(3-methoxyquinoxalin-2-yl)oxypiperidine-1-carboxylate

tert-butyl (3R)-3-(3-methoxyquinoxalin-2-yl)oxypiperidine-1-carboxylate (PubChem CID 71648506) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is tert-butyl (3R)-3-(3-methoxyquinoxalin-2-yl)oxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-(3-methoxyquinoxalin-2-yl)oxypiperidine-1-carboxylate
PubChem CID71648506
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC Nametert-butyl (3R)-3-(3-methoxyquinoxalin-2-yl)oxypiperidine-1-carboxylate
SMILESCOc1nc2ccccc2nc1O[C@@H]1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C19H25N3O4/c1-19(2,3)26-18(23)22-11-7-8-13(12-22)25-17-16(24-4)20-14-9-5-6-10-15(14)21-17/h5-6,9-10,13H,7-8,11-12H2,1-4H3/t13-/m1/s1
InChIKeyVYJTZYCUEDOUDX-CYBMUJFWSA-N
XLogP3.42
TPSA73.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl (3S)-3-[(3-methoxyquinoxalin-2-yl)oxymethyl]piperidine-1-carboxylate
CID 97168352
tert-butyl 3-isoquinolin-1-yloxypiperidine-1-carboxylate
CID 118114502
tert-butyl (3R)-3-[(3-hydroxy-2-pyridinyl)oxy]piperidine-1-carboxylate
CID 71630690
tert-butyl (3R)-3-pyridin-2-yloxypiperidine-1-carboxylate
CID 71630688
tert-butyl (3S)-3-[(3-cyano-2-pyridinyl)oxy]piperidine-1-carboxylate
CID 71630577
tert-butyl (3S)-3-(2-bromophenoxy)piperidine-1-carboxylate
CID 69433067
tert-butyl (3S)-3-(3-methylpyrazin-2-yl)oxypiperidine-1-carboxylate
CID 71634822
tert-butyl (3R)-3-[4-[(Z)-2-phenylethenyl]phenoxy]piperidine-1-carboxylate
CID 99902919
tert-butyl 3-[(2-methoxy-6-methyl-4-pyridinyl)oxy]piperidine-1-carboxylate
CID 146284888
tert-butyl 3-(1H-benzimidazol-2-yloxy)pyrrolidine-1-carboxylate
CID 71629736
tert-butyl (3S)-3-(4-bromophenoxy)piperidine-1-carboxylate
CID 166093491
tert-butyl 3-[[(3-methoxyquinoxalin-2-yl)-methylamino]methyl]pyrrolidine-1-carboxylate
CID 71648465

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-(3-methoxyquinoxalin-2-yl)oxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-(3-methoxyquinoxalin-2-yl)oxypiperidine-1-carboxylate (CID 71648506) is tert-butyl (3R)-3-(3-methoxyquinoxalin-2-yl)oxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-(3-methoxyquinoxalin-2-yl)oxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-(3-methoxyquinoxalin-2-yl)oxypiperidine-1-carboxylate is COc1nc2ccccc2nc1O[C@@H]1CCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl (3R)-3-(3-methoxyquinoxalin-2-yl)oxypiperidine-1-carboxylate?
The InChIKey is VYJTZYCUEDOUDX-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-19(2,3)26-18(23)22-11-7-8-13(12-22)25-17-16(24-4)20-14-9-5-6-10-15(14)21-17/h5-6,9-10,13H,7-8,11-12H2,1-4H3/t13-/m1/s1.
What are the key properties of tert-butyl (3R)-3-(3-methoxyquinoxalin-2-yl)oxypiperidine-1-carboxylate?
tert-butyl (3R)-3-(3-methoxyquinoxalin-2-yl)oxypiperidine-1-carboxylate has a molecular weight of 359.43 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-(3-methoxyquinoxalin-2-yl)oxypiperidine-1-carboxylate is sourced from PubChem (CID 71648506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).