1-tert-butyl-3-[methyl(piperidin-3-yl)amino]pyrazin-2-one

C14H24N4O — CID 63644296

IUPAC1-tert-butyl-3-[methyl(piperidin-3-yl)amino]pyrazin-2-one
SMILESCN(c1nccn(C(C)(C)C)c1=O)C1CCCNC1
InChIInChI=1S/C14H24N4O/c1-14(2,3)18-9-8-16-12(13(18)19)17(4)11-6-5-7-15-10-11/h8-9,11,15H,5-7,10H2,1-4H3
InChIKeyZEKAUWPBGGEHBN-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.19
Rot. Bonds2

About 1-tert-butyl-3-[methyl(piperidin-3-yl)amino]pyrazin-2-one

1-tert-butyl-3-[methyl(piperidin-3-yl)amino]pyrazin-2-one (PubChem CID 63644296) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-tert-butyl-3-[methyl(piperidin-3-yl)amino]pyrazin-2-one.

Molecular Properties

Compound Name1-tert-butyl-3-[methyl(piperidin-3-yl)amino]pyrazin-2-one
PubChem CID63644296
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name1-tert-butyl-3-[methyl(piperidin-3-yl)amino]pyrazin-2-one
SMILESCN(c1nccn(C(C)(C)C)c1=O)C1CCCNC1
InChIInChI=1S/C14H24N4O/c1-14(2,3)18-9-8-16-12(13(18)19)17(4)11-6-5-7-15-10-11/h8-9,11,15H,5-7,10H2,1-4H3
InChIKeyZEKAUWPBGGEHBN-UHFFFAOYSA-N
XLogP1.19
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[azetidin-3-yl(ethyl)amino]-1-tert-butylpyrazin-2-one
CID 66182628
1-tert-butyl-3-(piperidin-3-ylamino)pyrazin-2-one
CID 63321025
3-[azepan-4-yl(methyl)amino]-1-(2-methylpropyl)pyrazin-2-one
CID 107174117
3-[cyclobutyl(methyl)amino]-1-methylpyrazin-2-one
CID 126856997
N-methyl-N-piperidin-3-yl-3-(trifluoromethyl)pyridin-2-amine;dihydrochloride
CID 146077841
1-tert-butyl-3-[ethyl(piperidin-4-ylmethyl)amino]pyrazin-2-one
CID 79704882
5-methoxy-4-[methyl(piperidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136978133
1-tert-butyl-3-(cyclobutylamino)pyrazin-2-one
CID 62927934
3-[methyl(piperidin-3-ylmethyl)amino]-1-(2-methylpropyl)pyrazin-2-one
CID 106642835
N-methyl-N-[(3S)-piperidin-3-yl]-1,3-thiazol-2-amine
CID 71641107
5-bromo-N-methyl-N-piperidin-3-ylpyrimidin-4-amine
CID 66320623
N-methyl-N-piperidin-3-yl-4-pyrazol-1-ylbenzamide
CID 175264909

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-[methyl(piperidin-3-yl)amino]pyrazin-2-one?
The IUPAC name of 1-tert-butyl-3-[methyl(piperidin-3-yl)amino]pyrazin-2-one (CID 63644296) is 1-tert-butyl-3-[methyl(piperidin-3-yl)amino]pyrazin-2-one.
What is the SMILES notation for 1-tert-butyl-3-[methyl(piperidin-3-yl)amino]pyrazin-2-one?
The canonical SMILES for 1-tert-butyl-3-[methyl(piperidin-3-yl)amino]pyrazin-2-one is CN(c1nccn(C(C)(C)C)c1=O)C1CCCNC1.
What is the InChIKey of 1-tert-butyl-3-[methyl(piperidin-3-yl)amino]pyrazin-2-one?
The InChIKey is ZEKAUWPBGGEHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-14(2,3)18-9-8-16-12(13(18)19)17(4)11-6-5-7-15-10-11/h8-9,11,15H,5-7,10H2,1-4H3.
What are the key properties of 1-tert-butyl-3-[methyl(piperidin-3-yl)amino]pyrazin-2-one?
1-tert-butyl-3-[methyl(piperidin-3-yl)amino]pyrazin-2-one has a molecular weight of 264.37 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-[methyl(piperidin-3-yl)amino]pyrazin-2-one is sourced from PubChem (CID 63644296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).