tert-butyl N-[1-(5-methoxypyrido[3,4-b]pyrazin-8-yl)-5-methylpiperidin-3-yl]carbamate

C19H27N5O3 — CID 146316866

IUPACtert-butyl N-[1-(5-methoxypyrido[3,4-b]pyrazin-8-yl)-5-methylpiperidin-3-yl]carbamate
SMILESCOc1ncc(N2CC(C)CC(NC(=O)OC(C)(C)C)C2)c2nccnc12
InChIInChI=1S/C19H27N5O3/c1-12-8-13(23-18(25)27-19(2,3)4)11-24(10-12)14-9-22-17(26-5)16-15(14)20-6-7-21-16/h6-7,9,12-13H,8,10-11H2,1-5H3,(H,23,25)
InChIKeyLOJOCYWRTPPSSC-UHFFFAOYSA-N
MW373.46 g/mol
LogP2.77
Rot. Bonds3

About tert-butyl N-[1-(5-methoxypyrido[3,4-b]pyrazin-8-yl)-5-methylpiperidin-3-yl]carbamate

tert-butyl N-[1-(5-methoxypyrido[3,4-b]pyrazin-8-yl)-5-methylpiperidin-3-yl]carbamate (PubChem CID 146316866) has the molecular formula C19H27N5O3 and a molecular weight of 373.46 g/mol. Its IUPAC name is tert-butyl N-[1-(5-methoxypyrido[3,4-b]pyrazin-8-yl)-5-methylpiperidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(5-methoxypyrido[3,4-b]pyrazin-8-yl)-5-methylpiperidin-3-yl]carbamate
PubChem CID146316866
Molecular FormulaC19H27N5O3
Molecular Weight373.46 g/mol
Exact Mass373.21
IUPAC Nametert-butyl N-[1-(5-methoxypyrido[3,4-b]pyrazin-8-yl)-5-methylpiperidin-3-yl]carbamate
SMILESCOc1ncc(N2CC(C)CC(NC(=O)OC(C)(C)C)C2)c2nccnc12
InChIInChI=1S/C19H27N5O3/c1-12-8-13(23-18(25)27-19(2,3)4)11-24(10-12)14-9-22-17(26-5)16-15(14)20-6-7-21-16/h6-7,9,12-13H,8,10-11H2,1-5H3,(H,23,25)
InChIKeyLOJOCYWRTPPSSC-UHFFFAOYSA-N
XLogP2.77
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

tert-butyl N-[(3R,5S)-1-(8-methoxy-1,7-naphthyridin-5-yl)-5-methylpiperidin-3-yl]carbamate
CID 146329112
tert-butyl N-[(3R,5S)-1-(5-cyanopyrido[3,4-b]pyrazin-8-yl)-5-methylpiperidin-3-yl]carbamate
CID 146329316
tert-butyl N-[1-(8-fluoroquinoxalin-5-yl)-5-methylpiperidin-3-yl]carbamate
CID 129276893
tert-butyl N-[(3R,5S)-5-methyl-1-[8-(trifluoromethyl)quinoxalin-5-yl]piperidin-3-yl]carbamate
CID 129240611
tert-butyl N-[(3R,5S)-1-(8-formylquinoxalin-5-yl)-5-methylpiperidin-3-yl]carbamate
CID 129241241
tert-butyl N-[1-(3-amino-4-pyridinyl)-5-methylpiperidin-3-yl]carbamate
CID 58386783
tert-butyl N-[(3S,5R)-1-(2-methoxy-5-nitro-4-pyridinyl)-5-methylpiperidin-3-yl]carbamate
CID 169262186
tert-butyl N-[4-[(3R)-3-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-3-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 144796887
tert-butyl N-[(3S,5R)-1-(3-isothiocyanato-4-pyridinyl)-5-methylpiperidin-3-yl]carbamate
CID 131734135
tert-butyl N-[(5S)-1-(8-ethenylquinolin-5-yl)-5-methylpiperidin-3-yl]carbamate
CID 145336533
tert-butyl N-[1-(2,5-difluorophenyl)-5-methylpiperidin-3-yl]carbamate
CID 112544579
tert-butyl N-(5-methyl-1-thiophen-3-ylpiperidin-3-yl)carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(5-methoxypyrido[3,4-b]pyrazin-8-yl)-5-methylpiperidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(5-methoxypyrido[3,4-b]pyrazin-8-yl)-5-methylpiperidin-3-yl]carbamate (CID 146316866) is tert-butyl N-[1-(5-methoxypyrido[3,4-b]pyrazin-8-yl)-5-methylpiperidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(5-methoxypyrido[3,4-b]pyrazin-8-yl)-5-methylpiperidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(5-methoxypyrido[3,4-b]pyrazin-8-yl)-5-methylpiperidin-3-yl]carbamate is COc1ncc(N2CC(C)CC(NC(=O)OC(C)(C)C)C2)c2nccnc12.
What is the InChIKey of tert-butyl N-[1-(5-methoxypyrido[3,4-b]pyrazin-8-yl)-5-methylpiperidin-3-yl]carbamate?
The InChIKey is LOJOCYWRTPPSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O3/c1-12-8-13(23-18(25)27-19(2,3)4)11-24(10-12)14-9-22-17(26-5)16-15(14)20-6-7-21-16/h6-7,9,12-13H,8,10-11H2,1-5H3,(H,23,25).
What are the key properties of tert-butyl N-[1-(5-methoxypyrido[3,4-b]pyrazin-8-yl)-5-methylpiperidin-3-yl]carbamate?
tert-butyl N-[1-(5-methoxypyrido[3,4-b]pyrazin-8-yl)-5-methylpiperidin-3-yl]carbamate has a molecular weight of 373.46 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(5-methoxypyrido[3,4-b]pyrazin-8-yl)-5-methylpiperidin-3-yl]carbamate is sourced from PubChem (CID 146316866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).