1-[4-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-2-methoxyethanone

C17H23N5O2 — CID 95815633

IUPAC1-[4-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-2-methoxyethanone
SMILESCCc1nccn1-c1cncc(C2CCN(C(=O)COC)CC2)n1
InChIInChI=1S/C17H23N5O2/c1-3-15-19-6-9-22(15)16-11-18-10-14(20-16)13-4-7-21(8-5-13)17(23)12-24-2/h6,9-11,13H,3-5,7-8,12H2,1-2H3
InChIKeyYVLRZSFXSQKAMW-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.58
Rot. Bonds5

About 1-[4-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-2-methoxyethanone

1-[4-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-2-methoxyethanone (PubChem CID 95815633) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-[4-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[4-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-2-methoxyethanone
PubChem CID95815633
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name1-[4-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-2-methoxyethanone
SMILESCCc1nccn1-c1cncc(C2CCN(C(=O)COC)CC2)n1
InChIInChI=1S/C17H23N5O2/c1-3-15-19-6-9-22(15)16-11-18-10-14(20-16)13-4-7-21(8-5-13)17(23)12-24-2/h6,9-11,13H,3-5,7-8,12H2,1-2H3
InChIKeyYVLRZSFXSQKAMW-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-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-2-methoxyethanone?
The IUPAC name of 1-[4-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-2-methoxyethanone (CID 95815633) is 1-[4-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[4-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-2-methoxyethanone?
The canonical SMILES for 1-[4-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-2-methoxyethanone is CCc1nccn1-c1cncc(C2CCN(C(=O)COC)CC2)n1.
What is the InChIKey of 1-[4-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-2-methoxyethanone?
The InChIKey is YVLRZSFXSQKAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-3-15-19-6-9-22(15)16-11-18-10-14(20-16)13-4-7-21(8-5-13)17(23)12-24-2/h6,9-11,13H,3-5,7-8,12H2,1-2H3.
What are the key properties of 1-[4-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-2-methoxyethanone?
1-[4-[6-(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-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]-2-methoxyethanone is sourced from PubChem (CID 95815633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).