tert-butyl (3R)-3-[3-(3-ethoxyquinoxalin-2-yl)oxypropyl]piperidine-1-carboxylate

C23H33N3O4 — CID 97177775

IUPACtert-butyl (3R)-3-[3-(3-ethoxyquinoxalin-2-yl)oxypropyl]piperidine-1-carboxylate
SMILESCCOc1nc2ccccc2nc1OCCC[C@H]1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C23H33N3O4/c1-5-28-20-21(25-19-13-7-6-12-18(19)24-20)29-15-9-11-17-10-8-14-26(16-17)22(27)30-23(2,3)4/h6-7,12-13,17H,5,8-11,14-16H2,1-4H3/t17-/m1/s1
InChIKeyFKZYCAMWJAXPIE-QGZVFWFLSA-N
MW415.53 g/mol
LogP4.83
Rot. Bonds7

About tert-butyl (3R)-3-[3-(3-ethoxyquinoxalin-2-yl)oxypropyl]piperidine-1-carboxylate

tert-butyl (3R)-3-[3-(3-ethoxyquinoxalin-2-yl)oxypropyl]piperidine-1-carboxylate (PubChem CID 97177775) has the molecular formula C23H33N3O4 and a molecular weight of 415.53 g/mol. Its IUPAC name is tert-butyl (3R)-3-[3-(3-ethoxyquinoxalin-2-yl)oxypropyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-[3-(3-ethoxyquinoxalin-2-yl)oxypropyl]piperidine-1-carboxylate
PubChem CID97177775
Molecular FormulaC23H33N3O4
Molecular Weight415.53 g/mol
Exact Mass415.25
IUPAC Nametert-butyl (3R)-3-[3-(3-ethoxyquinoxalin-2-yl)oxypropyl]piperidine-1-carboxylate
SMILESCCOc1nc2ccccc2nc1OCCC[C@H]1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C23H33N3O4/c1-5-28-20-21(25-19-13-7-6-12-18(19)24-20)29-15-9-11-17-10-8-14-26(16-17)22(27)30-23(2,3)4/h6-7,12-13,17H,5,8-11,14-16H2,1-4H3/t17-/m1/s1
InChIKeyFKZYCAMWJAXPIE-QGZVFWFLSA-N
XLogP4.83
TPSA73.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.53
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 3-[3-[3-(cyclopropylamino)quinoxalin-2-yl]oxypropyl]piperidine-1-carboxylate
CID 71631018
tert-butyl (3S)-3-[[(3-ethoxyquinoxalin-2-yl)amino]methyl]piperidine-1-carboxylate
CID 97177754
tert-butyl (3R)-3-[2-[3-(methylamino)quinoxalin-2-yl]oxyethyl]piperidine-1-carboxylate
CID 97167828
tert-butyl (3S)-3-[(3-methoxyquinoxalin-2-yl)oxymethyl]piperidine-1-carboxylate
CID 97168352
tert-butyl 3-[3-(1,3-benzothiazol-2-yloxy)propyl]piperidine-1-carboxylate
CID 71631021
tert-butyl (3S)-3-[3-[(3-hydroxy-2-pyridinyl)oxy]propyl]piperidine-1-carboxylate
CID 97172035
tert-butyl 3-(3-pyridin-2-yloxypropyl)piperidine-1-carboxylate
CID 71631003
tert-butyl (3S)-3-(2-quinoxalin-2-yloxyethyl)piperidine-1-carboxylate
CID 97172159
tert-butyl 3-[[(3-ethoxyquinoxalin-2-yl)amino]methyl]pyrrolidine-1-carboxylate
CID 71635578
tert-butyl (3S)-3-[3-(2-chloropyrimidin-4-yl)oxypropyl]piperidine-1-carboxylate
CID 97172013
tert-butyl 3-[2-[(3-hydroxy-2-pyridinyl)oxy]ethyl]piperidine-1-carboxylate
CID 71631062
tert-butyl (2R)-2-[(3-ethoxyquinoxalin-2-yl)oxymethyl]pyrrolidine-1-carboxylate
CID 97177765

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-[3-(3-ethoxyquinoxalin-2-yl)oxypropyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-[3-(3-ethoxyquinoxalin-2-yl)oxypropyl]piperidine-1-carboxylate (CID 97177775) is tert-butyl (3R)-3-[3-(3-ethoxyquinoxalin-2-yl)oxypropyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-[3-(3-ethoxyquinoxalin-2-yl)oxypropyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-[3-(3-ethoxyquinoxalin-2-yl)oxypropyl]piperidine-1-carboxylate is CCOc1nc2ccccc2nc1OCCC[C@H]1CCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl (3R)-3-[3-(3-ethoxyquinoxalin-2-yl)oxypropyl]piperidine-1-carboxylate?
The InChIKey is FKZYCAMWJAXPIE-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H33N3O4/c1-5-28-20-21(25-19-13-7-6-12-18(19)24-20)29-15-9-11-17-10-8-14-26(16-17)22(27)30-23(2,3)4/h6-7,12-13,17H,5,8-11,14-16H2,1-4H3/t17-/m1/s1.
What are the key properties of tert-butyl (3R)-3-[3-(3-ethoxyquinoxalin-2-yl)oxypropyl]piperidine-1-carboxylate?
tert-butyl (3R)-3-[3-(3-ethoxyquinoxalin-2-yl)oxypropyl]piperidine-1-carboxylate has a molecular weight of 415.53 g/mol, XLogP of 4.83, 7 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-(3-ethoxyquinoxalin-2-yl)oxypropyl]piperidine-1-carboxylate is sourced from PubChem (CID 97177775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).