5-methyl-5-phenyl-1-(2-pyrazin-2-ylethyl)piperidin-2-one

C18H21N3O — CID 70730500

IUPAC5-methyl-5-phenyl-1-(2-pyrazin-2-ylethyl)piperidin-2-one
SMILESCC1(c2ccccc2)CCC(=O)N(CCc2cnccn2)C1
InChIInChI=1S/C18H21N3O/c1-18(15-5-3-2-4-6-15)9-7-17(22)21(14-18)12-8-16-13-19-10-11-20-16/h2-6,10-11,13H,7-9,12,14H2,1H3
InChIKeyJPJJQUUGOBHPOI-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.60
Rot. Bonds4

About 5-methyl-5-phenyl-1-(2-pyrazin-2-ylethyl)piperidin-2-one

5-methyl-5-phenyl-1-(2-pyrazin-2-ylethyl)piperidin-2-one (PubChem CID 70730500) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 5-methyl-5-phenyl-1-(2-pyrazin-2-ylethyl)piperidin-2-one.

Molecular Properties

Compound Name5-methyl-5-phenyl-1-(2-pyrazin-2-ylethyl)piperidin-2-one
PubChem CID70730500
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name5-methyl-5-phenyl-1-(2-pyrazin-2-ylethyl)piperidin-2-one
SMILESCC1(c2ccccc2)CCC(=O)N(CCc2cnccn2)C1
InChIInChI=1S/C18H21N3O/c1-18(15-5-3-2-4-6-15)9-7-17(22)21(14-18)12-8-16-13-19-10-11-20-16/h2-6,10-11,13H,7-9,12,14H2,1H3
InChIKeyJPJJQUUGOBHPOI-UHFFFAOYSA-N
XLogP2.60
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5S)-1-(2-imidazol-1-ylethyl)-5-methyl-5-phenylpiperidin-2-one
CID 97146233
5-methyl-1-(2-methylsulfonylethyl)-5-phenylpiperidin-2-one
CID 70756405
5-methyl-1-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-5-phenylpiperidin-2-one
CID 72913001
3-[2-[(5S)-5-methyl-2-oxo-5-phenylpiperidin-1-yl]ethyl]-1,3-oxazolidin-2-one
CID 97125748
5-(1,3-benzodioxol-5-ylmethyl)-5-methyl-1-(2-pyrazin-2-ylethyl)piperidin-2-one
CID 70749750
(5S)-5-methyl-1-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-5-phenylpiperidin-2-one
CID 97128931
5-methyl-1-(3-oxo-3-pyrrolidin-1-ylpropyl)-5-phenylpiperidin-2-one
CID 70788411
1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-5-methyl-5-phenylpiperidin-2-one
CID 70706844
5-methyl-1-(oxan-4-ylmethyl)-5-phenylpiperidin-2-one
CID 70732107
8-(pyrazine-2-carbonyl)-2-(2-pyridin-2-ylethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 72900123
(6S)-8-(pyrazine-2-carbonyl)-2-(2-pyridin-2-ylethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 97137769
(5S)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-methyl-5-phenylpiperidin-2-one
CID 97151583

Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-phenyl-1-(2-pyrazin-2-ylethyl)piperidin-2-one?
The IUPAC name of 5-methyl-5-phenyl-1-(2-pyrazin-2-ylethyl)piperidin-2-one (CID 70730500) is 5-methyl-5-phenyl-1-(2-pyrazin-2-ylethyl)piperidin-2-one.
What is the SMILES notation for 5-methyl-5-phenyl-1-(2-pyrazin-2-ylethyl)piperidin-2-one?
The canonical SMILES for 5-methyl-5-phenyl-1-(2-pyrazin-2-ylethyl)piperidin-2-one is CC1(c2ccccc2)CCC(=O)N(CCc2cnccn2)C1.
What is the InChIKey of 5-methyl-5-phenyl-1-(2-pyrazin-2-ylethyl)piperidin-2-one?
The InChIKey is JPJJQUUGOBHPOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-18(15-5-3-2-4-6-15)9-7-17(22)21(14-18)12-8-16-13-19-10-11-20-16/h2-6,10-11,13H,7-9,12,14H2,1H3.
What are the key properties of 5-methyl-5-phenyl-1-(2-pyrazin-2-ylethyl)piperidin-2-one?
5-methyl-5-phenyl-1-(2-pyrazin-2-ylethyl)piperidin-2-one has a molecular weight of 295.39 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-phenyl-1-(2-pyrazin-2-ylethyl)piperidin-2-one is sourced from PubChem (CID 70730500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).