1-(3-ethylimidazol-4-yl)-2-piperidin-4-ylethanone

C12H19N3O — CID 84735295

IUPAC1-(3-ethylimidazol-4-yl)-2-piperidin-4-ylethanone
SMILESCCn1cncc1C(=O)CC1CCNCC1
InChIInChI=1S/C12H19N3O/c1-2-15-9-14-8-11(15)12(16)7-10-3-5-13-6-4-10/h8-10,13H,2-7H2,1H3
InChIKeyCKMKMVOQRRWUEW-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.48
Rot. Bonds4

About 1-(3-ethylimidazol-4-yl)-2-piperidin-4-ylethanone

1-(3-ethylimidazol-4-yl)-2-piperidin-4-ylethanone (PubChem CID 84735295) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-(3-ethylimidazol-4-yl)-2-piperidin-4-ylethanone.

Molecular Properties

Compound Name1-(3-ethylimidazol-4-yl)-2-piperidin-4-ylethanone
PubChem CID84735295
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name1-(3-ethylimidazol-4-yl)-2-piperidin-4-ylethanone
SMILESCCn1cncc1C(=O)CC1CCNCC1
InChIInChI=1S/C12H19N3O/c1-2-15-9-14-8-11(15)12(16)7-10-3-5-13-6-4-10/h8-10,13H,2-7H2,1H3
InChIKeyCKMKMVOQRRWUEW-UHFFFAOYSA-N
XLogP1.48
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylimidazol-4-yl)-2-piperidin-4-ylethanone?
The IUPAC name of 1-(3-ethylimidazol-4-yl)-2-piperidin-4-ylethanone (CID 84735295) is 1-(3-ethylimidazol-4-yl)-2-piperidin-4-ylethanone.
What is the SMILES notation for 1-(3-ethylimidazol-4-yl)-2-piperidin-4-ylethanone?
The canonical SMILES for 1-(3-ethylimidazol-4-yl)-2-piperidin-4-ylethanone is CCn1cncc1C(=O)CC1CCNCC1.
What is the InChIKey of 1-(3-ethylimidazol-4-yl)-2-piperidin-4-ylethanone?
The InChIKey is CKMKMVOQRRWUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-2-15-9-14-8-11(15)12(16)7-10-3-5-13-6-4-10/h8-10,13H,2-7H2,1H3.
What are the key properties of 1-(3-ethylimidazol-4-yl)-2-piperidin-4-ylethanone?
1-(3-ethylimidazol-4-yl)-2-piperidin-4-ylethanone has a molecular weight of 221.30 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylimidazol-4-yl)-2-piperidin-4-ylethanone is sourced from PubChem (CID 84735295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).