1,4,6-trimethyl-3-[(3R)-3-pyrazin-2-ylpiperidine-1-carbonyl]pyridin-2-one

C18H22N4O2 — CID 92602615

IUPAC1,4,6-trimethyl-3-[(3R)-3-pyrazin-2-ylpiperidine-1-carbonyl]pyridin-2-one
SMILESCc1cc(C)n(C)c(=O)c1C(=O)N1CCC[C@@H](c2cnccn2)C1
InChIInChI=1S/C18H22N4O2/c1-12-9-13(2)21(3)17(23)16(12)18(24)22-8-4-5-14(11-22)15-10-19-6-7-20-15/h6-7,9-10,14H,4-5,8,11H2,1-3H3/t14-/m1/s1
InChIKeyHRUZIFLWUNRSCK-CQSZACIVSA-N
MW326.40 g/mol
LogP1.81
Rot. Bonds2

About 1,4,6-trimethyl-3-[(3R)-3-pyrazin-2-ylpiperidine-1-carbonyl]pyridin-2-one

1,4,6-trimethyl-3-[(3R)-3-pyrazin-2-ylpiperidine-1-carbonyl]pyridin-2-one (PubChem CID 92602615) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 1,4,6-trimethyl-3-[(3R)-3-pyrazin-2-ylpiperidine-1-carbonyl]pyridin-2-one.

Molecular Properties

Compound Name1,4,6-trimethyl-3-[(3R)-3-pyrazin-2-ylpiperidine-1-carbonyl]pyridin-2-one
PubChem CID92602615
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name1,4,6-trimethyl-3-[(3R)-3-pyrazin-2-ylpiperidine-1-carbonyl]pyridin-2-one
SMILESCc1cc(C)n(C)c(=O)c1C(=O)N1CCC[C@@H](c2cnccn2)C1
InChIInChI=1S/C18H22N4O2/c1-12-9-13(2)21(3)17(23)16(12)18(24)22-8-4-5-14(11-22)15-10-19-6-7-20-15/h6-7,9-10,14H,4-5,8,11H2,1-3H3/t14-/m1/s1
InChIKeyHRUZIFLWUNRSCK-CQSZACIVSA-N
XLogP1.81
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1,4,6-trimethyl-3-[(3R)-3-pyrazin-2-ylpiperidine-1-carbonyl]pyridin-2-one with MolForge

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Related Compounds

3-[3-(5-benzyl-2-pyridinyl)piperidine-1-carbonyl]-1,4,6-trimethylpyridin-2-one
CID 110264100
(3,5-dimethyl-1,2-oxazol-4-yl)-(3-pyrazin-2-ylpiperidin-1-yl)methanone
CID 110270945
(3-pyrazin-2-ylpiperidin-1-yl)-pyridin-4-ylmethanone
CID 110256969
(1-methylimidazol-2-yl)-(3-pyrazin-2-ylpiperidin-1-yl)methanone
CID 110096423
2H-benzotriazol-5-yl-(3-pyrazin-2-ylpiperidin-1-yl)methanone
CID 110102495
(3-pyrazin-2-ylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 110224388
(3,5-dimethylphenyl)-(3-pyrazin-2-ylpyrrolidin-1-yl)methanone
CID 136561624
1,3-oxazol-5-yl-(3-pyrazin-2-ylpiperidin-1-yl)methanone
CID 110271238
[1-(difluoromethyl)pyrazol-3-yl]-[(3S)-3-pyrazin-2-ylpiperidin-1-yl]methanone
CID 51590865
3-(5-methylpyrazol-1-yl)-1-[(3R)-3-pyrazin-2-ylpiperidin-1-yl]propan-1-one
CID 92562739
1,4,6-trimethyl-3-[(3S)-3-[5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]piperidine-1-carbonyl]pyridin-2-one
CID 92602607
(1-propylpyrazol-3-yl)-(3-pyrazin-2-ylpiperidin-1-yl)methanone
CID 175652301

Frequently Asked Questions

What is the IUPAC name of 1,4,6-trimethyl-3-[(3R)-3-pyrazin-2-ylpiperidine-1-carbonyl]pyridin-2-one?
The IUPAC name of 1,4,6-trimethyl-3-[(3R)-3-pyrazin-2-ylpiperidine-1-carbonyl]pyridin-2-one (CID 92602615) is 1,4,6-trimethyl-3-[(3R)-3-pyrazin-2-ylpiperidine-1-carbonyl]pyridin-2-one.
What is the SMILES notation for 1,4,6-trimethyl-3-[(3R)-3-pyrazin-2-ylpiperidine-1-carbonyl]pyridin-2-one?
The canonical SMILES for 1,4,6-trimethyl-3-[(3R)-3-pyrazin-2-ylpiperidine-1-carbonyl]pyridin-2-one is Cc1cc(C)n(C)c(=O)c1C(=O)N1CCC[C@@H](c2cnccn2)C1.
What is the InChIKey of 1,4,6-trimethyl-3-[(3R)-3-pyrazin-2-ylpiperidine-1-carbonyl]pyridin-2-one?
The InChIKey is HRUZIFLWUNRSCK-CQSZACIVSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-12-9-13(2)21(3)17(23)16(12)18(24)22-8-4-5-14(11-22)15-10-19-6-7-20-15/h6-7,9-10,14H,4-5,8,11H2,1-3H3/t14-/m1/s1.
What are the key properties of 1,4,6-trimethyl-3-[(3R)-3-pyrazin-2-ylpiperidine-1-carbonyl]pyridin-2-one?
1,4,6-trimethyl-3-[(3R)-3-pyrazin-2-ylpiperidine-1-carbonyl]pyridin-2-one has a molecular weight of 326.40 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,6-trimethyl-3-[(3R)-3-pyrazin-2-ylpiperidine-1-carbonyl]pyridin-2-one is sourced from PubChem (CID 92602615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).