1-[(3S)-3-[[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone

C17H23N5O — CID 124961929

IUPAC1-[(3S)-3-[[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@@H](Cc2nccnc2-c2cnc(C)n2C)C1
InChIInChI=1S/C17H23N5O/c1-12-20-10-16(21(12)3)17-15(18-6-7-19-17)9-14-5-4-8-22(11-14)13(2)23/h6-7,10,14H,4-5,8-9,11H2,1-3H3/t14-/m0/s1
InChIKeyHFEUCFAYVWOHGU-AWEZNQCLSA-N
MW313.41 g/mol
LogP1.99
Rot. Bonds3

About 1-[(3S)-3-[[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone

1-[(3S)-3-[[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone (PubChem CID 124961929) has the molecular formula C17H23N5O and a molecular weight of 313.41 g/mol. Its IUPAC name is 1-[(3S)-3-[[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3S)-3-[[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone
PubChem CID124961929
Molecular FormulaC17H23N5O
Molecular Weight313.41 g/mol
Exact Mass313.19
IUPAC Name1-[(3S)-3-[[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC[C@@H](Cc2nccnc2-c2cnc(C)n2C)C1
InChIInChI=1S/C17H23N5O/c1-12-20-10-16(21(12)3)17-15(18-6-7-19-17)9-14-5-4-8-22(11-14)13(2)23/h6-7,10,14H,4-5,8-9,11H2,1-3H3/t14-/m0/s1
InChIKeyHFEUCFAYVWOHGU-AWEZNQCLSA-N
XLogP1.99
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 110131850
2-(2,3-dimethylimidazol-4-yl)-3-[[(3R)-1-pyrazin-2-ylpiperidin-3-yl]methyl]pyrazine
CID 125004932
1-[(3S)-3-[[3-(1H-imidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone
CID 125023202
[4-[[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 110110580
2-(2,3-dimethylimidazol-4-yl)-3-[[1-(2-methylpyrimidin-4-yl)piperidin-3-yl]methyl]pyrazine
CID 110100546
[4-[[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 175656644
1-[(3R)-3-[[3-(2-methylpyrazol-3-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone
CID 124974350
1-[3-[[3-[2-(2-methylpropyl)-1,3-thiazol-5-yl]pyrazin-2-yl]methyl]piperidin-1-yl]ethanone
CID 110100485
1-[(3R)-3-[[3-[2-(2-methylpropyl)-1,3-thiazol-5-yl]pyrazin-2-yl]methyl]piperidin-1-yl]ethanone
CID 124961794
1-[(3S)-3-[[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone
CID 124961591
cyclopentyl-[(3R)-3-[[3-(1-methylimidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]methanone
CID 124987285
3-[(1-acetylpiperidin-3-yl)methyl]-N-cyclohexylpyrazine-2-carboxamide
CID 110271533

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-[[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[(3S)-3-[[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone (CID 124961929) is 1-[(3S)-3-[[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[(3S)-3-[[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[(3S)-3-[[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone is CC(=O)N1CCC[C@@H](Cc2nccnc2-c2cnc(C)n2C)C1.
What is the InChIKey of 1-[(3S)-3-[[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone?
The InChIKey is HFEUCFAYVWOHGU-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H23N5O/c1-12-20-10-16(21(12)3)17-15(18-6-7-19-17)9-14-5-4-8-22(11-14)13(2)23/h6-7,10,14H,4-5,8-9,11H2,1-3H3/t14-/m0/s1.
What are the key properties of 1-[(3S)-3-[[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone?
1-[(3S)-3-[[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone has a molecular weight of 313.41 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-[[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 124961929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).