tert-butyl N-methyl-N-[(3R)-1-quinoxalin-2-ylpiperidin-3-yl]carbamate

C19H26N4O2 — CID 97166923

IUPACtert-butyl N-methyl-N-[(3R)-1-quinoxalin-2-ylpiperidin-3-yl]carbamate
SMILESCN(C(=O)OC(C)(C)C)[C@@H]1CCCN(c2cnc3ccccc3n2)C1
InChIInChI=1S/C19H26N4O2/c1-19(2,3)25-18(24)22(4)14-8-7-11-23(13-14)17-12-20-15-9-5-6-10-16(15)21-17/h5-6,9-10,12,14H,7-8,11,13H2,1-4H3/t14-/m1/s1
InChIKeyRIJFYZVXEVOZOG-CQSZACIVSA-N
MW342.44 g/mol
LogP3.47
Rot. Bonds2

About tert-butyl N-methyl-N-[(3R)-1-quinoxalin-2-ylpiperidin-3-yl]carbamate

tert-butyl N-methyl-N-[(3R)-1-quinoxalin-2-ylpiperidin-3-yl]carbamate (PubChem CID 97166923) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[(3R)-1-quinoxalin-2-ylpiperidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[(3R)-1-quinoxalin-2-ylpiperidin-3-yl]carbamate
PubChem CID97166923
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Nametert-butyl N-methyl-N-[(3R)-1-quinoxalin-2-ylpiperidin-3-yl]carbamate
SMILESCN(C(=O)OC(C)(C)C)[C@@H]1CCCN(c2cnc3ccccc3n2)C1
InChIInChI=1S/C19H26N4O2/c1-19(2,3)25-18(24)22(4)14-8-7-11-23(13-14)17-12-20-15-9-5-6-10-16(15)21-17/h5-6,9-10,12,14H,7-8,11,13H2,1-4H3/t14-/m1/s1
InChIKeyRIJFYZVXEVOZOG-CQSZACIVSA-N
XLogP3.47
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-methyl-N-[1-(6-nitroquinoxalin-2-yl)piperidin-3-yl]carbamate
CID 71647015
tert-butyl N-methyl-N-[[(3S)-1-quinoxalin-2-ylpiperidin-3-yl]methyl]carbamate
CID 51967498
tert-butyl N-methyl-N-[(3S)-1-pyridin-2-ylpiperidin-3-yl]carbamate
CID 97166902
tert-butyl N-[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]-N-methylcarbamate
CID 71647039
ethyl 6-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidin-1-yl]pyridine-3-carboxylate
CID 86777154
tert-butyl N-methyl-N-[1-(2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]carbamate
CID 71648616
tert-butyl N-[1-(5-bromopyrimidin-2-yl)piperidin-3-yl]-N-methylcarbamate
CID 140914655
tert-butyl N-[(3R)-1-(5-chloropyrimidin-2-yl)piperidin-3-yl]-N-methylcarbamate
CID 97166895
tert-butyl N-[(3R)-1-(5-iodo-2-pyridinyl)pyrrolidin-3-yl]-N-methylcarbamate
CID 59704510
tert-butyl N-methyl-N-[(3S)-1-[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]piperidin-3-yl]carbamate
CID 97166947
tert-butyl N-methyl-N-[(3R)-1-[5-(trifluoromethyl)-1H-pyrazol-3-yl]piperidin-3-yl]carbamate
CID 165119706
tert-butyl N-[(3S)-1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N-methylcarbamate
CID 86331482

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[(3R)-1-quinoxalin-2-ylpiperidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[(3R)-1-quinoxalin-2-ylpiperidin-3-yl]carbamate (CID 97166923) is tert-butyl N-methyl-N-[(3R)-1-quinoxalin-2-ylpiperidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[(3R)-1-quinoxalin-2-ylpiperidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[(3R)-1-quinoxalin-2-ylpiperidin-3-yl]carbamate is CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(c2cnc3ccccc3n2)C1.
What is the InChIKey of tert-butyl N-methyl-N-[(3R)-1-quinoxalin-2-ylpiperidin-3-yl]carbamate?
The InChIKey is RIJFYZVXEVOZOG-CQSZACIVSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-19(2,3)25-18(24)22(4)14-8-7-11-23(13-14)17-12-20-15-9-5-6-10-16(15)21-17/h5-6,9-10,12,14H,7-8,11,13H2,1-4H3/t14-/m1/s1.
What are the key properties of tert-butyl N-methyl-N-[(3R)-1-quinoxalin-2-ylpiperidin-3-yl]carbamate?
tert-butyl N-methyl-N-[(3R)-1-quinoxalin-2-ylpiperidin-3-yl]carbamate has a molecular weight of 342.44 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[(3R)-1-quinoxalin-2-ylpiperidin-3-yl]carbamate is sourced from PubChem (CID 97166923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).