tert-butyl N-methyl-N-[[1-(6-methylpyrazin-2-yl)piperidin-4-yl]methyl]carbamate

C17H28N4O2 — CID 133470232

IUPACtert-butyl N-methyl-N-[[1-(6-methylpyrazin-2-yl)piperidin-4-yl]methyl]carbamate
SMILESCc1cncc(N2CCC(CN(C)C(=O)OC(C)(C)C)CC2)n1
InChIInChI=1S/C17H28N4O2/c1-13-10-18-11-15(19-13)21-8-6-14(7-9-21)12-20(5)16(22)23-17(2,3)4/h10-11,14H,6-9,12H2,1-5H3
InChIKeyZETNESSJEUBQCU-UHFFFAOYSA-N
MW320.44 g/mol
LogP2.87
Rot. Bonds3

About tert-butyl N-methyl-N-[[1-(6-methylpyrazin-2-yl)piperidin-4-yl]methyl]carbamate

tert-butyl N-methyl-N-[[1-(6-methylpyrazin-2-yl)piperidin-4-yl]methyl]carbamate (PubChem CID 133470232) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[[1-(6-methylpyrazin-2-yl)piperidin-4-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[[1-(6-methylpyrazin-2-yl)piperidin-4-yl]methyl]carbamate
PubChem CID133470232
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Nametert-butyl N-methyl-N-[[1-(6-methylpyrazin-2-yl)piperidin-4-yl]methyl]carbamate
SMILESCc1cncc(N2CCC(CN(C)C(=O)OC(C)(C)C)CC2)n1
InChIInChI=1S/C17H28N4O2/c1-13-10-18-11-15(19-13)21-8-6-14(7-9-21)12-20(5)16(22)23-17(2,3)4/h10-11,14H,6-9,12H2,1-5H3
InChIKeyZETNESSJEUBQCU-UHFFFAOYSA-N
XLogP2.87
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-methyl-N-[(1-pyrimidin-4-ylpiperidin-4-yl)methyl]carbamate
CID 66805336
tert-butyl N-[1-(6-methylpyrazin-2-yl)pyrrolidin-3-yl]carbamate
CID 133470611
tert-butyl N-methyl-N-[[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-3-yl]methyl]carbamate
CID 133300889
N,N-diethyl-1-(6-methylpyrazin-2-yl)piperidine-4-carboxamide
CID 133469122
tert-butyl N-methyl-N-[[(3S)-1-quinoxalin-2-ylpiperidin-3-yl]methyl]carbamate
CID 51967498
tert-butyl N-methyl-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]carbamate
CID 132508976
(3R)-3-[[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]pyrrolidine-1-carboxylic acid
CID 122505076
tert-butyl N-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-N-methylcarbamate
CID 86339983
1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-[1-(6-methylpyrazin-2-yl)piperidin-4-yl]ethanone
CID 172891275
2-cyclohexyl-1-[4-(6-methylpyrazin-2-yl)piperazin-1-yl]ethanone
CID 133469560
N,2,2-trimethyl-N-[(1-quinoxalin-2-ylpiperidin-4-yl)methyl]propanamide
CID 171702415
tert-butyl N-[[4-[4-(4-methoxyphenyl)piperidine-1-carbonyl]cyclohexyl]methyl]-N-methylcarbamate
CID 142446347

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[[1-(6-methylpyrazin-2-yl)piperidin-4-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[[1-(6-methylpyrazin-2-yl)piperidin-4-yl]methyl]carbamate (CID 133470232) is tert-butyl N-methyl-N-[[1-(6-methylpyrazin-2-yl)piperidin-4-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[[1-(6-methylpyrazin-2-yl)piperidin-4-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[[1-(6-methylpyrazin-2-yl)piperidin-4-yl]methyl]carbamate is Cc1cncc(N2CCC(CN(C)C(=O)OC(C)(C)C)CC2)n1.
What is the InChIKey of tert-butyl N-methyl-N-[[1-(6-methylpyrazin-2-yl)piperidin-4-yl]methyl]carbamate?
The InChIKey is ZETNESSJEUBQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-13-10-18-11-15(19-13)21-8-6-14(7-9-21)12-20(5)16(22)23-17(2,3)4/h10-11,14H,6-9,12H2,1-5H3.
What are the key properties of tert-butyl N-methyl-N-[[1-(6-methylpyrazin-2-yl)piperidin-4-yl]methyl]carbamate?
tert-butyl N-methyl-N-[[1-(6-methylpyrazin-2-yl)piperidin-4-yl]methyl]carbamate has a molecular weight of 320.44 g/mol, XLogP of 2.87, 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-[[1-(6-methylpyrazin-2-yl)piperidin-4-yl]methyl]carbamate is sourced from PubChem (CID 133470232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).