[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-pyrazin-2-ylmethanone

C16H21N5O — CID 56724031

IUPAC[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-pyrazin-2-ylmethanone
SMILESCCc1nccn1CC1CCN(C(=O)c2cnccn2)CC1
InChIInChI=1S/C16H21N5O/c1-2-15-19-7-10-21(15)12-13-3-8-20(9-4-13)16(22)14-11-17-5-6-18-14/h5-7,10-11,13H,2-4,8-9,12H2,1H3
InChIKeyREBVWXYYGIVKBR-UHFFFAOYSA-N
MW299.38 g/mol
LogP1.79
Rot. Bonds4

About [4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-pyrazin-2-ylmethanone

[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-pyrazin-2-ylmethanone (PubChem CID 56724031) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is [4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-pyrazin-2-ylmethanone
PubChem CID56724031
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-pyrazin-2-ylmethanone
SMILESCCc1nccn1CC1CCN(C(=O)c2cnccn2)CC1
InChIInChI=1S/C16H21N5O/c1-2-15-19-7-10-21(15)12-13-3-8-20(9-4-13)16(22)14-11-17-5-6-18-14/h5-7,10-11,13H,2-4,8-9,12H2,1H3
InChIKeyREBVWXYYGIVKBR-UHFFFAOYSA-N
XLogP1.79
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-pyrazin-2-ylmethanone (CID 56724031) is [4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-pyrazin-2-ylmethanone is CCc1nccn1CC1CCN(C(=O)c2cnccn2)CC1.
What is the InChIKey of [4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-pyrazin-2-ylmethanone?
The InChIKey is REBVWXYYGIVKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-2-15-19-7-10-21(15)12-13-3-8-20(9-4-13)16(22)14-11-17-5-6-18-14/h5-7,10-11,13H,2-4,8-9,12H2,1H3.
What are the key properties of [4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-pyrazin-2-ylmethanone?
[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-pyrazin-2-ylmethanone has a molecular weight of 299.38 g/mol, XLogP of 1.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 56724031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).