1-[(3S)-3-[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]propan-1-one

C17H23N5O — CID 124964605

IUPAC1-[(3S)-3-[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC[C@H](c2nccnc2-c2cnc(C)n2C)C1
InChIInChI=1S/C17H23N5O/c1-4-15(23)22-9-5-6-13(11-22)16-17(19-8-7-18-16)14-10-20-12(2)21(14)3/h7-8,10,13H,4-6,9,11H2,1-3H3/t13-/m0/s1
InChIKeyHYOCCXHPJNDDRX-ZDUSSCGKSA-N
MW313.41 g/mol
LogP2.30
Rot. Bonds3

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

1-[(3S)-3-[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]propan-1-one (PubChem CID 124964605) 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]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[(3S)-3-[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]propan-1-one
PubChem CID124964605
Molecular FormulaC17H23N5O
Molecular Weight313.41 g/mol
Exact Mass313.19
IUPAC Name1-[(3S)-3-[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC[C@H](c2nccnc2-c2cnc(C)n2C)C1
InChIInChI=1S/C17H23N5O/c1-4-15(23)22-9-5-6-13(11-22)16-17(19-8-7-18-16)14-10-20-12(2)21(14)3/h7-8,10,13H,4-6,9,11H2,1-3H3/t13-/m0/s1
InChIKeyHYOCCXHPJNDDRX-ZDUSSCGKSA-N
XLogP2.30
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 ≤ 52.30
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]piperidin-1-yl]propan-1-one
CID 110131823
[(3R)-3-[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 124999728
2-(2,3-dimethylimidazol-4-yl)-3-[(3S)-1-(2-methylpropyl)piperidin-3-yl]pyrazine
CID 124949567
[3-[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-(4-methylpyrimidin-5-yl)methanone
CID 110110840
[3-[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-(2-fluorophenyl)methanone
CID 110109922
1-[(3S)-3-[[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone
CID 124961929
1-[4-[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 110095283
1-[(3S)-3-[3-(pyrimidin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 124959791
1-[3-[6-(2,3-dimethylimidazol-4-yl)-2-pyridinyl]piperidin-1-yl]ethanone
CID 110130884
2,2-dimethyl-1-[3-[3-(2-propylpyrazol-3-yl)pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 110101549
1-[(3R)-3-[3-(1-methylpyrazol-4-yl)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 124989647
1-[(3S)-3-[5-(pyrazin-2-ylamino)pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 95822423

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]propan-1-one?
The IUPAC name of 1-[(3S)-3-[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]propan-1-one (CID 124964605) is 1-[(3S)-3-[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[(3S)-3-[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[(3S)-3-[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]propan-1-one is CCC(=O)N1CCC[C@H](c2nccnc2-c2cnc(C)n2C)C1.
What is the InChIKey of 1-[(3S)-3-[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]propan-1-one?
The InChIKey is HYOCCXHPJNDDRX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H23N5O/c1-4-15(23)22-9-5-6-13(11-22)16-17(19-8-7-18-16)14-10-20-12(2)21(14)3/h7-8,10,13H,4-6,9,11H2,1-3H3/t13-/m0/s1.
What are the key properties of 1-[(3S)-3-[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]propan-1-one?
1-[(3S)-3-[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]propan-1-one has a molecular weight of 313.41 g/mol, XLogP of 2.30, 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]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 124964605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).