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

C20H28N4O3 — CID 71648495

IUPACtert-butyl N-[[1-(3-methoxyquinoxalin-2-yl)piperidin-2-yl]methyl]carbamate
SMILESCOc1nc2ccccc2nc1N1CCCCC1CNC(=O)OC(C)(C)C
InChIInChI=1S/C20H28N4O3/c1-20(2,3)27-19(25)21-13-14-9-7-8-12-24(14)17-18(26-4)23-16-11-6-5-10-15(16)22-17/h5-6,10-11,14H,7-9,12-13H2,1-4H3,(H,21,25)
InChIKeyUPRIMNWFEPIFEM-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.52
Rot. Bonds4

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

tert-butyl N-[[1-(3-methoxyquinoxalin-2-yl)piperidin-2-yl]methyl]carbamate (PubChem CID 71648495) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is tert-butyl N-[[1-(3-methoxyquinoxalin-2-yl)piperidin-2-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[1-(3-methoxyquinoxalin-2-yl)piperidin-2-yl]methyl]carbamate
PubChem CID71648495
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC Nametert-butyl N-[[1-(3-methoxyquinoxalin-2-yl)piperidin-2-yl]methyl]carbamate
SMILESCOc1nc2ccccc2nc1N1CCCCC1CNC(=O)OC(C)(C)C
InChIInChI=1S/C20H28N4O3/c1-20(2,3)27-19(25)21-13-14-9-7-8-12-24(14)17-18(26-4)23-16-11-6-5-10-15(16)22-17/h5-6,10-11,14H,7-9,12-13H2,1-4H3,(H,21,25)
InChIKeyUPRIMNWFEPIFEM-UHFFFAOYSA-N
XLogP3.52
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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tert-butyl N-[[(2S)-1-(6-bromo-2-pyridinyl)piperidin-2-yl]methyl]carbamate
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[1-(3-methoxyquinoxalin-2-yl)pyrrolidin-2-yl]methanol
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tert-butyl N-[[(2S)-1-(3-nitro-2-pyridinyl)piperidin-2-yl]methyl]carbamate
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tert-butyl N-[[(2S)-1-(4-chloropyrimidin-2-yl)piperidin-2-yl]methyl]carbamate
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tert-butyl N-[[1-(2-chloropyrimidin-4-yl)piperidin-2-yl]methyl]carbamate
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tert-butyl N-[[(2S)-1-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperidin-2-yl]methyl]carbamate
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tert-butyl N-[[(2S)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidin-2-yl]methyl]carbamate
CID 86335443
tert-butyl N-[[1-(1-phenylethyl)piperidin-2-yl]methyl]carbamate
CID 123993971
tert-butyl N-[[(2R)-1-(3-methylpyrazin-2-yl)pyrrolidin-2-yl]methyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[1-(3-methoxyquinoxalin-2-yl)piperidin-2-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[1-(3-methoxyquinoxalin-2-yl)piperidin-2-yl]methyl]carbamate (CID 71648495) is tert-butyl N-[[1-(3-methoxyquinoxalin-2-yl)piperidin-2-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[1-(3-methoxyquinoxalin-2-yl)piperidin-2-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[1-(3-methoxyquinoxalin-2-yl)piperidin-2-yl]methyl]carbamate is COc1nc2ccccc2nc1N1CCCCC1CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[[1-(3-methoxyquinoxalin-2-yl)piperidin-2-yl]methyl]carbamate?
The InChIKey is UPRIMNWFEPIFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-20(2,3)27-19(25)21-13-14-9-7-8-12-24(14)17-18(26-4)23-16-11-6-5-10-15(16)22-17/h5-6,10-11,14H,7-9,12-13H2,1-4H3,(H,21,25).
What are the key properties of tert-butyl N-[[1-(3-methoxyquinoxalin-2-yl)piperidin-2-yl]methyl]carbamate?
tert-butyl N-[[1-(3-methoxyquinoxalin-2-yl)piperidin-2-yl]methyl]carbamate has a molecular weight of 372.47 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[1-(3-methoxyquinoxalin-2-yl)piperidin-2-yl]methyl]carbamate is sourced from PubChem (CID 71648495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).