tert-butyl N-methyl-N-[1-(2-oxo-2-pyrazin-2-ylethyl)piperidin-4-yl]carbamate

C17H26N4O3 — CID 71647139

IUPACtert-butyl N-methyl-N-[1-(2-oxo-2-pyrazin-2-ylethyl)piperidin-4-yl]carbamate
SMILESCN(C(=O)OC(C)(C)C)C1CCN(CC(=O)c2cnccn2)CC1
InChIInChI=1S/C17H26N4O3/c1-17(2,3)24-16(23)20(4)13-5-9-21(10-6-13)12-15(22)14-11-18-7-8-19-14/h7-8,11,13H,5-6,9-10,12H2,1-4H3
InChIKeyMIQQXBVHRULCJO-UHFFFAOYSA-N
MW334.42 g/mol
LogP1.99
Rot. Bonds4

About tert-butyl N-methyl-N-[1-(2-oxo-2-pyrazin-2-ylethyl)piperidin-4-yl]carbamate

tert-butyl N-methyl-N-[1-(2-oxo-2-pyrazin-2-ylethyl)piperidin-4-yl]carbamate (PubChem CID 71647139) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[1-(2-oxo-2-pyrazin-2-ylethyl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[1-(2-oxo-2-pyrazin-2-ylethyl)piperidin-4-yl]carbamate
PubChem CID71647139
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Nametert-butyl N-methyl-N-[1-(2-oxo-2-pyrazin-2-ylethyl)piperidin-4-yl]carbamate
SMILESCN(C(=O)OC(C)(C)C)C1CCN(CC(=O)c2cnccn2)CC1
InChIInChI=1S/C17H26N4O3/c1-17(2,3)24-16(23)20(4)13-5-9-21(10-6-13)12-15(22)14-11-18-7-8-19-14/h7-8,11,13H,5-6,9-10,12H2,1-4H3
InChIKeyMIQQXBVHRULCJO-UHFFFAOYSA-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

Analyze tert-butyl N-methyl-N-[1-(2-oxo-2-pyrazin-2-ylethyl)piperidin-4-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-methyl-N-[(3R)-1-(2-oxo-2-pyrazin-2-ylethyl)piperidin-3-yl]carbamate
CID 97167017
2-[4-(aminomethyl)piperidin-1-yl]-1-pyrazin-2-ylethanone;hydrochloride
CID 71644829
tert-butyl N-methyl-N-[(3S)-1-[(1S)-1-pyrazin-2-ylethyl]piperidin-3-yl]carbamate
CID 86329864
tert-butyl 3-[methyl-(2-oxo-2-pyrazin-2-ylethyl)amino]piperidine-1-carboxylate
CID 71647334
tert-butyl N-[1-[(6-bromo-3-pyridinyl)methyl]piperidin-4-yl]-N-methylcarbamate
CID 71647287
2-[(3S)-3-aminopyrrolidin-1-yl]-1-pyrazin-2-ylethanone
CID 71644010
tert-butyl N-methyl-N-(1-propylpiperidin-4-yl)carbamate
CID 63714385
tert-butyl N-[1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]-N-methylcarbamate
CID 66569666
tert-butyl N-[(3S)-1-(isoquinolin-6-ylmethyl)pyrrolidin-3-yl]-N-methylcarbamate
CID 58080852
tert-butyl N-cyclopropyl-N-[3-(pyrazine-2-carbonylamino)propyl]carbamate
CID 47058851
tert-butyl N-methyl-N-[1-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]piperidin-4-yl]carbamate
CID 66805506
tert-butyl N-methyl-N-[1-(2-pyridin-2-ylethyl)pyrrolidin-3-yl]carbamate
CID 71977139

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[1-(2-oxo-2-pyrazin-2-ylethyl)piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[1-(2-oxo-2-pyrazin-2-ylethyl)piperidin-4-yl]carbamate (CID 71647139) is tert-butyl N-methyl-N-[1-(2-oxo-2-pyrazin-2-ylethyl)piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[1-(2-oxo-2-pyrazin-2-ylethyl)piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[1-(2-oxo-2-pyrazin-2-ylethyl)piperidin-4-yl]carbamate is CN(C(=O)OC(C)(C)C)C1CCN(CC(=O)c2cnccn2)CC1.
What is the InChIKey of tert-butyl N-methyl-N-[1-(2-oxo-2-pyrazin-2-ylethyl)piperidin-4-yl]carbamate?
The InChIKey is MIQQXBVHRULCJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-17(2,3)24-16(23)20(4)13-5-9-21(10-6-13)12-15(22)14-11-18-7-8-19-14/h7-8,11,13H,5-6,9-10,12H2,1-4H3.
What are the key properties of tert-butyl N-methyl-N-[1-(2-oxo-2-pyrazin-2-ylethyl)piperidin-4-yl]carbamate?
tert-butyl N-methyl-N-[1-(2-oxo-2-pyrazin-2-ylethyl)piperidin-4-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-[1-(2-oxo-2-pyrazin-2-ylethyl)piperidin-4-yl]carbamate is sourced from PubChem (CID 71647139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).