tert-butyl N-(1-quinoxalin-2-ylpiperidin-4-yl)carbamate

C18H24N4O2 — CID 71632141

IUPACtert-butyl N-(1-quinoxalin-2-ylpiperidin-4-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(c2cnc3ccccc3n2)CC1
InChIInChI=1S/C18H24N4O2/c1-18(2,3)24-17(23)20-13-8-10-22(11-9-13)16-12-19-14-6-4-5-7-15(14)21-16/h4-7,12-13H,8-11H2,1-3H3,(H,20,23)
InChIKeyDGDTUEDKOGWSQX-UHFFFAOYSA-N
MW328.42 g/mol
LogP3.12
Rot. Bonds2

About tert-butyl N-(1-quinoxalin-2-ylpiperidin-4-yl)carbamate

tert-butyl N-(1-quinoxalin-2-ylpiperidin-4-yl)carbamate (PubChem CID 71632141) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is tert-butyl N-(1-quinoxalin-2-ylpiperidin-4-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-quinoxalin-2-ylpiperidin-4-yl)carbamate
PubChem CID71632141
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Nametert-butyl N-(1-quinoxalin-2-ylpiperidin-4-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(c2cnc3ccccc3n2)CC1
InChIInChI=1S/C18H24N4O2/c1-18(2,3)24-17(23)20-13-8-10-22(11-9-13)16-12-19-14-6-4-5-7-15(14)21-16/h4-7,12-13H,8-11H2,1-3H3,(H,20,23)
InChIKeyDGDTUEDKOGWSQX-UHFFFAOYSA-N
XLogP3.12
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-quinoxalin-2-ylpiperidin-4-yl)benzamide
CID 33378138
tert-butyl N-[1-(3-chloroquinolin-4-yl)piperidin-4-yl]carbamate
CID 139326760
tert-butyl N-[1-[6-(2-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]carbamate
CID 11949675
tert-butyl N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]carbamate
CID 86625881
tert-butyl N-[1-(3-methylquinoxalin-2-yl)pyrrolidin-3-yl]carbamate
CID 133293160
tert-butyl N-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]carbamate
CID 71632159
tert-butyl N-[(3R)-1-(3-methoxyquinoxalin-2-yl)pyrrolidin-3-yl]carbamate
CID 71648476
tert-butyl N-[1-(2-pyrrolidin-1-ylphenyl)piperidin-4-yl]carbamate
CID 168513935
tert-butyl N-[1-(2-ethylquinolin-4-yl)piperidin-4-yl]carbamate
CID 133400609
tert-butyl N-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]carbamate
CID 71301860
2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyridine-4-carboxylic acid
CID 91811778
N-(1-quinoxalin-2-ylpiperidin-4-yl)pyrazine-2-carboxamide
CID 172903561

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-quinoxalin-2-ylpiperidin-4-yl)carbamate?
The IUPAC name of tert-butyl N-(1-quinoxalin-2-ylpiperidin-4-yl)carbamate (CID 71632141) is tert-butyl N-(1-quinoxalin-2-ylpiperidin-4-yl)carbamate.
What is the SMILES notation for tert-butyl N-(1-quinoxalin-2-ylpiperidin-4-yl)carbamate?
The canonical SMILES for tert-butyl N-(1-quinoxalin-2-ylpiperidin-4-yl)carbamate is CC(C)(C)OC(=O)NC1CCN(c2cnc3ccccc3n2)CC1.
What is the InChIKey of tert-butyl N-(1-quinoxalin-2-ylpiperidin-4-yl)carbamate?
The InChIKey is DGDTUEDKOGWSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-18(2,3)24-17(23)20-13-8-10-22(11-9-13)16-12-19-14-6-4-5-7-15(14)21-16/h4-7,12-13H,8-11H2,1-3H3,(H,20,23).
What are the key properties of tert-butyl N-(1-quinoxalin-2-ylpiperidin-4-yl)carbamate?
tert-butyl N-(1-quinoxalin-2-ylpiperidin-4-yl)carbamate has a molecular weight of 328.42 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-quinoxalin-2-ylpiperidin-4-yl)carbamate is sourced from PubChem (CID 71632141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).