1-[4-[3-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-2-methoxyethanone

C17H23N5O2 — CID 95810958

IUPAC1-[4-[3-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-2-methoxyethanone
SMILESCCc1nccn1-c1nccnc1C1CCN(C(=O)COC)CC1
InChIInChI=1S/C17H23N5O2/c1-3-14-18-8-11-22(14)17-16(19-6-7-20-17)13-4-9-21(10-5-13)15(23)12-24-2/h6-8,11,13H,3-5,9-10,12H2,1-2H3
InChIKeyPCJWCFJMQOZQRT-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.58
Rot. Bonds5

About 1-[4-[3-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-2-methoxyethanone

1-[4-[3-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-2-methoxyethanone (PubChem CID 95810958) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-[4-[3-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[4-[3-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-2-methoxyethanone
PubChem CID95810958
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name1-[4-[3-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-2-methoxyethanone
SMILESCCc1nccn1-c1nccnc1C1CCN(C(=O)COC)CC1
InChIInChI=1S/C17H23N5O2/c1-3-14-18-8-11-22(14)17-16(19-6-7-20-17)13-4-9-21(10-5-13)15(23)12-24-2/h6-8,11,13H,3-5,9-10,12H2,1-2H3
InChIKeyPCJWCFJMQOZQRT-UHFFFAOYSA-N
XLogP1.58
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-2-methoxyethanone?
The IUPAC name of 1-[4-[3-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-2-methoxyethanone (CID 95810958) is 1-[4-[3-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[4-[3-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-2-methoxyethanone?
The canonical SMILES for 1-[4-[3-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-2-methoxyethanone is CCc1nccn1-c1nccnc1C1CCN(C(=O)COC)CC1.
What is the InChIKey of 1-[4-[3-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-2-methoxyethanone?
The InChIKey is PCJWCFJMQOZQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-3-14-18-8-11-22(14)17-16(19-6-7-20-17)13-4-9-21(10-5-13)15(23)12-24-2/h6-8,11,13H,3-5,9-10,12H2,1-2H3.
What are the key properties of 1-[4-[3-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-2-methoxyethanone?
1-[4-[3-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-2-methoxyethanone has a molecular weight of 329.40 g/mol, XLogP of 1.58, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-2-methoxyethanone is sourced from PubChem (CID 95810958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).