(3-ethylimidazol-4-yl)-piperidin-3-ylmethanone

C11H17N3O — CID 84734165

IUPAC(3-ethylimidazol-4-yl)-piperidin-3-ylmethanone
SMILESCCn1cncc1C(=O)C1CCCNC1
InChIInChI=1S/C11H17N3O/c1-2-14-8-13-7-10(14)11(15)9-4-3-5-12-6-9/h7-9,12H,2-6H2,1H3
InChIKeyPHEIJJZZHFDDDX-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.09
Rot. Bonds3

About (3-ethylimidazol-4-yl)-piperidin-3-ylmethanone

(3-ethylimidazol-4-yl)-piperidin-3-ylmethanone (PubChem CID 84734165) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is (3-ethylimidazol-4-yl)-piperidin-3-ylmethanone.

Molecular Properties

Compound Name(3-ethylimidazol-4-yl)-piperidin-3-ylmethanone
PubChem CID84734165
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name(3-ethylimidazol-4-yl)-piperidin-3-ylmethanone
SMILESCCn1cncc1C(=O)C1CCCNC1
InChIInChI=1S/C11H17N3O/c1-2-14-8-13-7-10(14)11(15)9-4-3-5-12-6-9/h7-9,12H,2-6H2,1H3
InChIKeyPHEIJJZZHFDDDX-UHFFFAOYSA-N
XLogP1.09
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-ethylimidazol-4-yl)-piperidin-3-ylmethanone?
The IUPAC name of (3-ethylimidazol-4-yl)-piperidin-3-ylmethanone (CID 84734165) is (3-ethylimidazol-4-yl)-piperidin-3-ylmethanone.
What is the SMILES notation for (3-ethylimidazol-4-yl)-piperidin-3-ylmethanone?
The canonical SMILES for (3-ethylimidazol-4-yl)-piperidin-3-ylmethanone is CCn1cncc1C(=O)C1CCCNC1.
What is the InChIKey of (3-ethylimidazol-4-yl)-piperidin-3-ylmethanone?
The InChIKey is PHEIJJZZHFDDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-2-14-8-13-7-10(14)11(15)9-4-3-5-12-6-9/h7-9,12H,2-6H2,1H3.
What are the key properties of (3-ethylimidazol-4-yl)-piperidin-3-ylmethanone?
(3-ethylimidazol-4-yl)-piperidin-3-ylmethanone has a molecular weight of 207.28 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylimidazol-4-yl)-piperidin-3-ylmethanone is sourced from PubChem (CID 84734165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).