tert-butyl N-[1-(5-deuteriopyrazin-2-yl)-4-methylpiperidin-4-yl]carbamate

C15H24N4O2 — CID 175845552

IUPACtert-butyl N-[1-(5-deuteriopyrazin-2-yl)-4-methylpiperidin-4-yl]carbamate
SMILES[2H]c1cnc(N2CCC(C)(NC(=O)OC(C)(C)C)CC2)cn1
InChIInChI=1S/C15H24N4O2/c1-14(2,3)21-13(20)18-15(4)5-9-19(10-6-15)12-11-16-7-8-17-12/h7-8,11H,5-6,9-10H2,1-4H3,(H,18,20)/i7D
InChIKeyPQZMMLCDNPHTGT-WHRKIXHSSA-N
MW293.39 g/mol
LogP2.36
Rot. Bonds2

About tert-butyl N-[1-(5-deuteriopyrazin-2-yl)-4-methylpiperidin-4-yl]carbamate

tert-butyl N-[1-(5-deuteriopyrazin-2-yl)-4-methylpiperidin-4-yl]carbamate (PubChem CID 175845552) has the molecular formula C15H24N4O2 and a molecular weight of 293.39 g/mol. Its IUPAC name is tert-butyl N-[1-(5-deuteriopyrazin-2-yl)-4-methylpiperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(5-deuteriopyrazin-2-yl)-4-methylpiperidin-4-yl]carbamate
PubChem CID175845552
Molecular FormulaC15H24N4O2
Molecular Weight293.39 g/mol
Exact Mass293.20
IUPAC Nametert-butyl N-[1-(5-deuteriopyrazin-2-yl)-4-methylpiperidin-4-yl]carbamate
SMILES[2H]c1cnc(N2CCC(C)(NC(=O)OC(C)(C)C)CC2)cn1
InChIInChI=1S/C15H24N4O2/c1-14(2,3)21-13(20)18-15(4)5-9-19(10-6-15)12-11-16-7-8-17-12/h7-8,11H,5-6,9-10H2,1-4H3,(H,18,20)/i7D
InChIKeyPQZMMLCDNPHTGT-WHRKIXHSSA-N
XLogP2.36
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[[1-(5-deuteriopyrazin-2-yl)-4-methylpiperidin-4-yl]methyl]carbamate
CID 175835276
tert-butyl N-[1-(2-chloropyrimidin-4-yl)-4-methylpiperidin-4-yl]carbamate
CID 19694924
methyl 3-[5-[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazin-2-yl]sulfanylpropanoate
CID 166465244
[2-[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrimidin-5-yl]oxyboronic acid
CID 142754886
tert-butyl N-[1-(6-bromo-4-methyl-2-pyridinyl)-4-methylpiperidin-4-yl]carbamate
CID 175043302
tert-butyl N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]carbamate
CID 56965637
tert-butyl N-(1,4-dimethylpiperidin-4-yl)carbamate;ethane
CID 142326878
tert-butyl N-[1-(4-amino-5-bromo-3-nitro-2-pyridinyl)-4-methylpiperidin-4-yl]carbamate
CID 142403906
tert-butyl N-[1-(5-bromo-[1,3]thiazolo[4,5-b]pyrazin-2-yl)-4-methylpiperidin-4-yl]carbamate
CID 155796581
tert-butyl N-(1-methylcyclopropyl)carbamate;ethane
CID 144869445
tert-butyl 4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
CID 67240999
tert-butyl N-[1-[5-(6-methoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-methylpiperidin-4-yl]carbamate
CID 134434726

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(5-deuteriopyrazin-2-yl)-4-methylpiperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(5-deuteriopyrazin-2-yl)-4-methylpiperidin-4-yl]carbamate (CID 175845552) is tert-butyl N-[1-(5-deuteriopyrazin-2-yl)-4-methylpiperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(5-deuteriopyrazin-2-yl)-4-methylpiperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(5-deuteriopyrazin-2-yl)-4-methylpiperidin-4-yl]carbamate is [2H]c1cnc(N2CCC(C)(NC(=O)OC(C)(C)C)CC2)cn1.
What is the InChIKey of tert-butyl N-[1-(5-deuteriopyrazin-2-yl)-4-methylpiperidin-4-yl]carbamate?
The InChIKey is PQZMMLCDNPHTGT-WHRKIXHSSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-14(2,3)21-13(20)18-15(4)5-9-19(10-6-15)12-11-16-7-8-17-12/h7-8,11H,5-6,9-10H2,1-4H3,(H,18,20)/i7D.
What are the key properties of tert-butyl N-[1-(5-deuteriopyrazin-2-yl)-4-methylpiperidin-4-yl]carbamate?
tert-butyl N-[1-(5-deuteriopyrazin-2-yl)-4-methylpiperidin-4-yl]carbamate has a molecular weight of 293.39 g/mol, XLogP of 2.36, 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-(5-deuteriopyrazin-2-yl)-4-methylpiperidin-4-yl]carbamate is sourced from PubChem (CID 175845552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).