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

C16H26N4O2 — CID 175835276

IUPACtert-butyl N-[[1-(5-deuteriopyrazin-2-yl)-4-methylpiperidin-4-yl]methyl]carbamate
SMILES[2H]c1cnc(N2CCC(C)(CNC(=O)OC(C)(C)C)CC2)cn1
InChIInChI=1S/C16H26N4O2/c1-15(2,3)22-14(21)19-12-16(4)5-9-20(10-6-16)13-11-17-7-8-18-13/h7-8,11H,5-6,9-10,12H2,1-4H3,(H,19,21)/i7D
InChIKeyGJWSNJAGEARRIR-WHRKIXHSSA-N
MW307.42 g/mol
LogP2.61
Rot. Bonds3

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

tert-butyl N-[[1-(5-deuteriopyrazin-2-yl)-4-methylpiperidin-4-yl]methyl]carbamate (PubChem CID 175835276) has the molecular formula C16H26N4O2 and a molecular weight of 307.42 g/mol. Its IUPAC name is tert-butyl N-[[1-(5-deuteriopyrazin-2-yl)-4-methylpiperidin-4-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[1-(5-deuteriopyrazin-2-yl)-4-methylpiperidin-4-yl]methyl]carbamate
PubChem CID175835276
Molecular FormulaC16H26N4O2
Molecular Weight307.42 g/mol
Exact Mass307.21
IUPAC Nametert-butyl N-[[1-(5-deuteriopyrazin-2-yl)-4-methylpiperidin-4-yl]methyl]carbamate
SMILES[2H]c1cnc(N2CCC(C)(CNC(=O)OC(C)(C)C)CC2)cn1
InChIInChI=1S/C16H26N4O2/c1-15(2,3)22-14(21)19-12-16(4)5-9-20(10-6-16)13-11-17-7-8-18-13/h7-8,11H,5-6,9-10,12H2,1-4H3,(H,19,21)/i7D
InChIKeyGJWSNJAGEARRIR-WHRKIXHSSA-N
XLogP2.61
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.61
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]carbamate
CID 175845552
tert-butyl N-[3-bromo-6-[4-methyl-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]pyrazin-2-yl]carbamate
CID 170561140
tert-butyl N-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]carbamate
CID 56965637
tert-butyl N-[[1-(5-bromo-3-phenylmethoxypyrazin-2-yl)-4-methylpiperidin-4-yl]methyl]carbamate
CID 139516378
tert-butyl N-[[1-(4,5-dichloro-1-methyl-6-oxopyrimidin-2-yl)-4-methylpiperidin-4-yl]methyl]carbamate
CID 139526080
tert-butyl N-[[1-[5-(2,3-dichlorophenyl)sulfanyl-4-methoxypyrimidin-2-yl]-4-methylpiperidin-4-yl]methyl]carbamate
CID 140904073
methyl 3-[3-amino-5-[4-methyl-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]pyrazin-2-yl]sulfanyl-2-chlorobenzoate
CID 170088052
tert-butyl N-[[1-[5-(3-benzyl-5-chloro-4-oxoquinazolin-6-yl)sulfanylpyrazin-2-yl]-4-methylpiperidin-4-yl]methyl]carbamate
CID 166465072
tert-butyl N-[(1-methylcyclopropyl)methyl]carbamate;ethane;methyl 2-methylpropanoate;molecular hydrogen
CID 178159968
tert-butyl N-(1-pyrazin-2-ylazetidin-3-yl)carbamate
CID 66570422
tert-butyl N-[[1-[5-[2-chloro-3-[[2-(2-oxopiperazin-1-yl)acetyl]amino]phenyl]sulfanylpyrazin-2-yl]-4-methylpiperidin-4-yl]methyl]carbamate
CID 167464982
tert-butyl N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]carbamate
CID 20801237

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[1-(5-deuteriopyrazin-2-yl)-4-methylpiperidin-4-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[1-(5-deuteriopyrazin-2-yl)-4-methylpiperidin-4-yl]methyl]carbamate (CID 175835276) is tert-butyl N-[[1-(5-deuteriopyrazin-2-yl)-4-methylpiperidin-4-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[1-(5-deuteriopyrazin-2-yl)-4-methylpiperidin-4-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[1-(5-deuteriopyrazin-2-yl)-4-methylpiperidin-4-yl]methyl]carbamate is [2H]c1cnc(N2CCC(C)(CNC(=O)OC(C)(C)C)CC2)cn1.
What is the InChIKey of tert-butyl N-[[1-(5-deuteriopyrazin-2-yl)-4-methylpiperidin-4-yl]methyl]carbamate?
The InChIKey is GJWSNJAGEARRIR-WHRKIXHSSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-15(2,3)22-14(21)19-12-16(4)5-9-20(10-6-16)13-11-17-7-8-18-13/h7-8,11H,5-6,9-10,12H2,1-4H3,(H,19,21)/i7D.
What are the key properties of tert-butyl N-[[1-(5-deuteriopyrazin-2-yl)-4-methylpiperidin-4-yl]methyl]carbamate?
tert-butyl N-[[1-(5-deuteriopyrazin-2-yl)-4-methylpiperidin-4-yl]methyl]carbamate has a molecular weight of 307.42 g/mol, XLogP of 2.61, 3 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]methyl]carbamate is sourced from PubChem (CID 175835276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).