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

C20H28N4O2 — CID 51967498

IUPACtert-butyl N-methyl-N-[[(3S)-1-quinoxalin-2-ylpiperidin-3-yl]methyl]carbamate
SMILESCN(C[C@H]1CCCN(c2cnc3ccccc3n2)C1)C(=O)OC(C)(C)C
InChIInChI=1S/C20H28N4O2/c1-20(2,3)26-19(25)23(4)13-15-8-7-11-24(14-15)18-12-21-16-9-5-6-10-17(16)22-18/h5-6,9-10,12,15H,7-8,11,13-14H2,1-4H3/t15-/m1/s1
InChIKeyBUHOUWARFOEWGK-OAHLLOKOSA-N
MW356.47 g/mol
LogP3.71
Rot. Bonds3

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

tert-butyl N-methyl-N-[[(3S)-1-quinoxalin-2-ylpiperidin-3-yl]methyl]carbamate (PubChem CID 51967498) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[[(3S)-1-quinoxalin-2-ylpiperidin-3-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[[(3S)-1-quinoxalin-2-ylpiperidin-3-yl]methyl]carbamate
PubChem CID51967498
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Nametert-butyl N-methyl-N-[[(3S)-1-quinoxalin-2-ylpiperidin-3-yl]methyl]carbamate
SMILESCN(C[C@H]1CCCN(c2cnc3ccccc3n2)C1)C(=O)OC(C)(C)C
InChIInChI=1S/C20H28N4O2/c1-20(2,3)26-19(25)23(4)13-15-8-7-11-24(14-15)18-12-21-16-9-5-6-10-17(16)22-18/h5-6,9-10,12,15H,7-8,11,13-14H2,1-4H3/t15-/m1/s1
InChIKeyBUHOUWARFOEWGK-OAHLLOKOSA-N
XLogP3.71
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

tert-butyl N-methyl-N-[(3R)-1-quinoxalin-2-ylpiperidin-3-yl]carbamate
CID 97166923
[(3S)-1-quinoxalin-2-ylpiperidin-3-yl]methanol
CID 33370711
N,2,2-trimethyl-N-[(1-quinoxalin-2-ylpiperidin-4-yl)methyl]propanamide
CID 171702415
tert-butyl N-[[1-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)piperidin-3-yl]methyl]-N-methylcarbamate
CID 56563715
2-[3-(2-chloroethyl)piperidin-1-yl]quinoxaline
CID 63390007
tert-butyl N-methyl-N-[[1-(6-methylquinazolin-4-yl)piperidin-3-yl]methyl]carbamate
CID 133300739
tert-butyl N-[[(3R)-1-benzoylpiperidin-3-yl]methyl]-N-methylcarbamate
CID 94806593
tert-butyl N-[[1-(3-chloro-4-cyanophenyl)piperidin-3-yl]methyl]-N-methylcarbamate
CID 133300743
tert-butyl N-methyl-N-[1-(6-nitroquinoxalin-2-yl)piperidin-3-yl]carbamate
CID 71647015
tert-butyl N-(1-quinoxalin-2-ylpiperidin-4-yl)carbamate
CID 71632141
tert-butyl N-methyl-N-[[1-(6-methylpyrazin-2-yl)piperidin-4-yl]methyl]carbamate
CID 133470232
tert-butyl N-[[(3R)-1-(2-methoxybenzoyl)piperidin-3-yl]methyl]-N-methylcarbamate
CID 52512093

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[[(3S)-1-quinoxalin-2-ylpiperidin-3-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[[(3S)-1-quinoxalin-2-ylpiperidin-3-yl]methyl]carbamate (CID 51967498) is tert-butyl N-methyl-N-[[(3S)-1-quinoxalin-2-ylpiperidin-3-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[[(3S)-1-quinoxalin-2-ylpiperidin-3-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[[(3S)-1-quinoxalin-2-ylpiperidin-3-yl]methyl]carbamate is CN(C[C@H]1CCCN(c2cnc3ccccc3n2)C1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-methyl-N-[[(3S)-1-quinoxalin-2-ylpiperidin-3-yl]methyl]carbamate?
The InChIKey is BUHOUWARFOEWGK-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-20(2,3)26-19(25)23(4)13-15-8-7-11-24(14-15)18-12-21-16-9-5-6-10-17(16)22-18/h5-6,9-10,12,15H,7-8,11,13-14H2,1-4H3/t15-/m1/s1.
What are the key properties of tert-butyl N-methyl-N-[[(3S)-1-quinoxalin-2-ylpiperidin-3-yl]methyl]carbamate?
tert-butyl N-methyl-N-[[(3S)-1-quinoxalin-2-ylpiperidin-3-yl]methyl]carbamate has a molecular weight of 356.47 g/mol, XLogP of 3.71, 3 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-[[(3S)-1-quinoxalin-2-ylpiperidin-3-yl]methyl]carbamate is sourced from PubChem (CID 51967498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).