1-(1H-imidazol-5-yl)-2-piperidin-4-ylethanone

C10H15N3O — CID 84733103

IUPAC1-(1H-imidazol-5-yl)-2-piperidin-4-ylethanone
SMILESO=C(CC1CCNCC1)c1cnc[nH]1
InChIInChI=1S/C10H15N3O/c14-10(9-6-12-7-13-9)5-8-1-3-11-4-2-8/h6-8,11H,1-5H2,(H,12,13)
InChIKeyQRIVDWOMBCVTKT-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.98
Rot. Bonds3

About 1-(1H-imidazol-5-yl)-2-piperidin-4-ylethanone

1-(1H-imidazol-5-yl)-2-piperidin-4-ylethanone (PubChem CID 84733103) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 1-(1H-imidazol-5-yl)-2-piperidin-4-ylethanone.

Molecular Properties

Compound Name1-(1H-imidazol-5-yl)-2-piperidin-4-ylethanone
PubChem CID84733103
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name1-(1H-imidazol-5-yl)-2-piperidin-4-ylethanone
SMILESO=C(CC1CCNCC1)c1cnc[nH]1
InChIInChI=1S/C10H15N3O/c14-10(9-6-12-7-13-9)5-8-1-3-11-4-2-8/h6-8,11H,1-5H2,(H,12,13)
InChIKeyQRIVDWOMBCVTKT-UHFFFAOYSA-N
XLogP0.98
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(1H-imidazol-5-yl)-2-piperidin-4-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-5-yl)-2-piperidin-4-ylethanone?
The IUPAC name of 1-(1H-imidazol-5-yl)-2-piperidin-4-ylethanone (CID 84733103) is 1-(1H-imidazol-5-yl)-2-piperidin-4-ylethanone.
What is the SMILES notation for 1-(1H-imidazol-5-yl)-2-piperidin-4-ylethanone?
The canonical SMILES for 1-(1H-imidazol-5-yl)-2-piperidin-4-ylethanone is O=C(CC1CCNCC1)c1cnc[nH]1.
What is the InChIKey of 1-(1H-imidazol-5-yl)-2-piperidin-4-ylethanone?
The InChIKey is QRIVDWOMBCVTKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c14-10(9-6-12-7-13-9)5-8-1-3-11-4-2-8/h6-8,11H,1-5H2,(H,12,13).
What are the key properties of 1-(1H-imidazol-5-yl)-2-piperidin-4-ylethanone?
1-(1H-imidazol-5-yl)-2-piperidin-4-ylethanone has a molecular weight of 193.25 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-5-yl)-2-piperidin-4-ylethanone is sourced from PubChem (CID 84733103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).