tert-butyl N-methyl-N-[(3R)-1-(2-oxo-2-pyrazin-2-ylethyl)piperidin-3-yl]carbamate

C17H26N4O3 — CID 97167017

IUPACtert-butyl N-methyl-N-[(3R)-1-(2-oxo-2-pyrazin-2-ylethyl)piperidin-3-yl]carbamate
SMILESCN(C(=O)OC(C)(C)C)[C@@H]1CCCN(CC(=O)c2cnccn2)C1
InChIInChI=1S/C17H26N4O3/c1-17(2,3)24-16(23)20(4)13-6-5-9-21(11-13)12-15(22)14-10-18-7-8-19-14/h7-8,10,13H,5-6,9,11-12H2,1-4H3/t13-/m1/s1
InChIKeyFHLLJACGVJWEHB-CYBMUJFWSA-N
MW334.42 g/mol
LogP1.99
Rot. Bonds4

About tert-butyl N-methyl-N-[(3R)-1-(2-oxo-2-pyrazin-2-ylethyl)piperidin-3-yl]carbamate

tert-butyl N-methyl-N-[(3R)-1-(2-oxo-2-pyrazin-2-ylethyl)piperidin-3-yl]carbamate (PubChem CID 97167017) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[(3R)-1-(2-oxo-2-pyrazin-2-ylethyl)piperidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[(3R)-1-(2-oxo-2-pyrazin-2-ylethyl)piperidin-3-yl]carbamate
PubChem CID97167017
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Nametert-butyl N-methyl-N-[(3R)-1-(2-oxo-2-pyrazin-2-ylethyl)piperidin-3-yl]carbamate
SMILESCN(C(=O)OC(C)(C)C)[C@@H]1CCCN(CC(=O)c2cnccn2)C1
InChIInChI=1S/C17H26N4O3/c1-17(2,3)24-16(23)20(4)13-6-5-9-21(11-13)12-15(22)14-10-18-7-8-19-14/h7-8,10,13H,5-6,9,11-12H2,1-4H3/t13-/m1/s1
InChIKeyFHLLJACGVJWEHB-CYBMUJFWSA-N
XLogP1.99
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl N-methyl-N-[1-(2-oxo-2-pyrazin-2-ylethyl)piperidin-4-yl]carbamate
CID 71647139
2-[(3R)-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidin-1-yl]acetic acid
CID 66566410
tert-butyl N-methyl-N-[(3S)-1-[(1S)-1-pyrazin-2-ylethyl]piperidin-3-yl]carbamate
CID 86329864
tert-butyl N-methyl-N-[(3R)-1-(2-oxo-2-thiophen-2-ylethyl)piperidin-3-yl]carbamate
CID 97167013
tert-butyl N-[(3R)-1-[2-(furan-2-yl)-2-oxoethyl]piperidin-3-yl]-N-methylcarbamate
CID 97167011
tert-butyl 3-[methyl-(2-oxo-2-pyrazin-2-ylethyl)amino]piperidine-1-carboxylate
CID 71647334
tert-butyl N-[(3R)-1-[(2-chloropyrimidin-4-yl)methyl]piperidin-3-yl]-N-methylcarbamate
CID 97167031
2-[(3S)-3-aminopyrrolidin-1-yl]-1-pyrazin-2-ylethanone
CID 71644010
tert-butyl N-[(3S)-1-(isoquinolin-6-ylmethyl)pyrrolidin-3-yl]-N-methylcarbamate
CID 58080852
tert-butyl N-[(3R)-1-(5-chloropyrimidin-2-yl)piperidin-3-yl]-N-methylcarbamate
CID 97166895
tert-butyl N-[1-(5-bromopyrimidin-2-yl)piperidin-3-yl]-N-methylcarbamate
CID 140914655
tert-butyl N-methyl-N-[1-(3,3,3-trifluoro-2-hydroxypropyl)piperidin-3-yl]carbamate
CID 86792769

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[(3R)-1-(2-oxo-2-pyrazin-2-ylethyl)piperidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[(3R)-1-(2-oxo-2-pyrazin-2-ylethyl)piperidin-3-yl]carbamate (CID 97167017) is tert-butyl N-methyl-N-[(3R)-1-(2-oxo-2-pyrazin-2-ylethyl)piperidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[(3R)-1-(2-oxo-2-pyrazin-2-ylethyl)piperidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[(3R)-1-(2-oxo-2-pyrazin-2-ylethyl)piperidin-3-yl]carbamate is CN(C(=O)OC(C)(C)C)[C@@H]1CCCN(CC(=O)c2cnccn2)C1.
What is the InChIKey of tert-butyl N-methyl-N-[(3R)-1-(2-oxo-2-pyrazin-2-ylethyl)piperidin-3-yl]carbamate?
The InChIKey is FHLLJACGVJWEHB-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-17(2,3)24-16(23)20(4)13-6-5-9-21(11-13)12-15(22)14-10-18-7-8-19-14/h7-8,10,13H,5-6,9,11-12H2,1-4H3/t13-/m1/s1.
What are the key properties of tert-butyl N-methyl-N-[(3R)-1-(2-oxo-2-pyrazin-2-ylethyl)piperidin-3-yl]carbamate?
tert-butyl N-methyl-N-[(3R)-1-(2-oxo-2-pyrazin-2-ylethyl)piperidin-3-yl]carbamate has a molecular weight of 334.42 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[(3R)-1-(2-oxo-2-pyrazin-2-ylethyl)piperidin-3-yl]carbamate is sourced from PubChem (CID 97167017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).