tert-butyl N-[[(2S)-1-(3-ethoxyquinoxalin-2-yl)piperidin-2-yl]methyl]carbamate

C21H30N4O3 — CID 97177741

IUPACtert-butyl N-[[(2S)-1-(3-ethoxyquinoxalin-2-yl)piperidin-2-yl]methyl]carbamate
SMILESCCOc1nc2ccccc2nc1N1CCCC[C@H]1CNC(=O)OC(C)(C)C
InChIInChI=1S/C21H30N4O3/c1-5-27-19-18(23-16-11-6-7-12-17(16)24-19)25-13-9-8-10-15(25)14-22-20(26)28-21(2,3)4/h6-7,11-12,15H,5,8-10,13-14H2,1-4H3,(H,22,26)/t15-/m0/s1
InChIKeyRQILZLKBWMUYIL-HNNXBMFYSA-N
MW386.50 g/mol
LogP3.91
Rot. Bonds5

About tert-butyl N-[[(2S)-1-(3-ethoxyquinoxalin-2-yl)piperidin-2-yl]methyl]carbamate

tert-butyl N-[[(2S)-1-(3-ethoxyquinoxalin-2-yl)piperidin-2-yl]methyl]carbamate (PubChem CID 97177741) has the molecular formula C21H30N4O3 and a molecular weight of 386.50 g/mol. Its IUPAC name is tert-butyl N-[[(2S)-1-(3-ethoxyquinoxalin-2-yl)piperidin-2-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[(2S)-1-(3-ethoxyquinoxalin-2-yl)piperidin-2-yl]methyl]carbamate
PubChem CID97177741
Molecular FormulaC21H30N4O3
Molecular Weight386.50 g/mol
Exact Mass386.23
IUPAC Nametert-butyl N-[[(2S)-1-(3-ethoxyquinoxalin-2-yl)piperidin-2-yl]methyl]carbamate
SMILESCCOc1nc2ccccc2nc1N1CCCC[C@H]1CNC(=O)OC(C)(C)C
InChIInChI=1S/C21H30N4O3/c1-5-27-19-18(23-16-11-6-7-12-17(16)24-19)25-13-9-8-10-15(25)14-22-20(26)28-21(2,3)4/h6-7,11-12,15H,5,8-10,13-14H2,1-4H3,(H,22,26)/t15-/m0/s1
InChIKeyRQILZLKBWMUYIL-HNNXBMFYSA-N
XLogP3.91
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[[(2S)-1-(3-ethoxyquinoxalin-2-yl)piperidin-2-yl]methyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[[1-(3-methoxyquinoxalin-2-yl)piperidin-2-yl]methyl]carbamate
CID 71648495
[(2R)-1-(3-ethoxyquinoxalin-2-yl)piperidin-2-yl]methanol
CID 97177742
tert-butyl N-[[1-(5-methylquinazolin-4-yl)piperidin-2-yl]methyl]carbamate
CID 133397040
[1-(3-ethoxyquinoxalin-2-yl)piperidin-2-yl]methanamine;hydrochloride
CID 71639684
(2R)-1-(3-ethoxyquinoxalin-2-yl)piperidine-2-carboxylic acid
CID 97177738
tert-butyl N-[[(2S)-1-(6-bromo-2-pyridinyl)piperidin-2-yl]methyl]carbamate
CID 97174187
tert-butyl N-[[(2S)-1-(3-nitro-2-pyridinyl)piperidin-2-yl]methyl]carbamate
CID 97174207
tert-butyl N-[[(2S)-1-(4-chloropyrimidin-2-yl)piperidin-2-yl]methyl]carbamate
CID 97174203
tert-butyl N-[[1-(2-chloropyrimidin-4-yl)piperidin-2-yl]methyl]carbamate
CID 71632207
tert-butyl N-[[(2R)-1-(3-methylpyrazin-2-yl)pyrrolidin-2-yl]methyl]carbamate
CID 97176839
tert-butyl N-[[(2S)-1-(6-aminoquinoxalin-2-yl)piperidin-2-yl]methyl]carbamate
CID 97174229
tert-butyl N-[[(2S)-1-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]piperidin-2-yl]methyl]carbamate
CID 97176595

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[(2S)-1-(3-ethoxyquinoxalin-2-yl)piperidin-2-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[(2S)-1-(3-ethoxyquinoxalin-2-yl)piperidin-2-yl]methyl]carbamate (CID 97177741) is tert-butyl N-[[(2S)-1-(3-ethoxyquinoxalin-2-yl)piperidin-2-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[(2S)-1-(3-ethoxyquinoxalin-2-yl)piperidin-2-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[(2S)-1-(3-ethoxyquinoxalin-2-yl)piperidin-2-yl]methyl]carbamate is CCOc1nc2ccccc2nc1N1CCCC[C@H]1CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[[(2S)-1-(3-ethoxyquinoxalin-2-yl)piperidin-2-yl]methyl]carbamate?
The InChIKey is RQILZLKBWMUYIL-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H30N4O3/c1-5-27-19-18(23-16-11-6-7-12-17(16)24-19)25-13-9-8-10-15(25)14-22-20(26)28-21(2,3)4/h6-7,11-12,15H,5,8-10,13-14H2,1-4H3,(H,22,26)/t15-/m0/s1.
What are the key properties of tert-butyl N-[[(2S)-1-(3-ethoxyquinoxalin-2-yl)piperidin-2-yl]methyl]carbamate?
tert-butyl N-[[(2S)-1-(3-ethoxyquinoxalin-2-yl)piperidin-2-yl]methyl]carbamate has a molecular weight of 386.50 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[(2S)-1-(3-ethoxyquinoxalin-2-yl)piperidin-2-yl]methyl]carbamate is sourced from PubChem (CID 97177741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).