2-[3-(3-imidazol-1-ylpyrazin-2-yl)piperidin-1-yl]-1-morpholin-4-ylethanone

C18H24N6O2 — CID 110250058

IUPAC2-[3-(3-imidazol-1-ylpyrazin-2-yl)piperidin-1-yl]-1-morpholin-4-ylethanone
SMILESO=C(CN1CCCC(c2nccnc2-n2ccnc2)C1)N1CCOCC1
InChIInChI=1S/C18H24N6O2/c25-16(23-8-10-26-11-9-23)13-22-6-1-2-15(12-22)17-18(21-4-3-20-17)24-7-5-19-14-24/h3-5,7,14-15H,1-2,6,8-13H2
InChIKeyFWCMEIZRYUOGNA-UHFFFAOYSA-N
MW356.43 g/mol
LogP0.70
Rot. Bonds4

About 2-[3-(3-imidazol-1-ylpyrazin-2-yl)piperidin-1-yl]-1-morpholin-4-ylethanone

2-[3-(3-imidazol-1-ylpyrazin-2-yl)piperidin-1-yl]-1-morpholin-4-ylethanone (PubChem CID 110250058) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 2-[3-(3-imidazol-1-ylpyrazin-2-yl)piperidin-1-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[3-(3-imidazol-1-ylpyrazin-2-yl)piperidin-1-yl]-1-morpholin-4-ylethanone
PubChem CID110250058
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC Name2-[3-(3-imidazol-1-ylpyrazin-2-yl)piperidin-1-yl]-1-morpholin-4-ylethanone
SMILESO=C(CN1CCCC(c2nccnc2-n2ccnc2)C1)N1CCOCC1
InChIInChI=1S/C18H24N6O2/c25-16(23-8-10-26-11-9-23)13-22-6-1-2-15(12-22)17-18(21-4-3-20-17)24-7-5-19-14-24/h3-5,7,14-15H,1-2,6,8-13H2
InChIKeyFWCMEIZRYUOGNA-UHFFFAOYSA-N
XLogP0.70
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-[2-Ethyl-5-(1-methylimidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]-1-morpholin-4-ylethanone
CID 165401430
1-{4-[3-(2-Ethylimidazol-1-YL)pyrazin-2-YL]piperidin-1-YL}-2-methoxyethanone
CID 95810958
1-[4-[6-(2-Ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-2-methoxyethanone
CID 95815633
1-[4-[(5-Imidazol-1-ylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone
CID 95825000
1-[4-(6-Morpholin-4-ylpyrazin-2-yl)piperidin-1-yl]ethanone
CID 95825045
1-{3-[3-(2-Ethylimidazol-1-YL)pyrazin-2-YL]piperidin-1-YL}-2-methoxyethanone
CID 110250085
2-(Imidazol-1-YL)-3-[1-(oxan-4-YL)piperidin-3-YL]pyrazine
CID 110250111
1-[3-[(5-Imidazol-1-ylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone
CID 110257309
1-{4-[4,5-Dimethyl-6-(morpholin-4-YL)pyrimidin-2-YL]piperidin-1-YL}-2-(imidazol-1-YL)ethanone
CID 95799201
2-[(3R)-3-(3-imidazol-1-ylpyrazin-2-yl)piperidin-1-yl]-1-morpholin-4-ylethanone
CID 95810892
2-[(3S)-3-(3-imidazol-1-ylpyrazin-2-yl)piperidin-1-yl]-1-morpholin-4-ylethanone
CID 95810893
2-[(3R)-3-(3-imidazol-1-ylpyrazin-2-yl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 95810894

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-imidazol-1-ylpyrazin-2-yl)piperidin-1-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[3-(3-imidazol-1-ylpyrazin-2-yl)piperidin-1-yl]-1-morpholin-4-ylethanone (CID 110250058) is 2-[3-(3-imidazol-1-ylpyrazin-2-yl)piperidin-1-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[3-(3-imidazol-1-ylpyrazin-2-yl)piperidin-1-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[3-(3-imidazol-1-ylpyrazin-2-yl)piperidin-1-yl]-1-morpholin-4-ylethanone is O=C(CN1CCCC(c2nccnc2-n2ccnc2)C1)N1CCOCC1.
What is the InChIKey of 2-[3-(3-imidazol-1-ylpyrazin-2-yl)piperidin-1-yl]-1-morpholin-4-ylethanone?
The InChIKey is FWCMEIZRYUOGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2/c25-16(23-8-10-26-11-9-23)13-22-6-1-2-15(12-22)17-18(21-4-3-20-17)24-7-5-19-14-24/h3-5,7,14-15H,1-2,6,8-13H2.
What are the key properties of 2-[3-(3-imidazol-1-ylpyrazin-2-yl)piperidin-1-yl]-1-morpholin-4-ylethanone?
2-[3-(3-imidazol-1-ylpyrazin-2-yl)piperidin-1-yl]-1-morpholin-4-ylethanone has a molecular weight of 356.43 g/mol, XLogP of 0.70, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-imidazol-1-ylpyrazin-2-yl)piperidin-1-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 110250058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).