3-(2-ethylimidazol-1-yl)-1-[(3S,4S)-4-(4-fluorophenyl)-3-hydroxypiperidin-1-yl]propan-1-one

C19H24FN3O2 — CID 50968634

IUPAC3-(2-ethylimidazol-1-yl)-1-[(3S,4S)-4-(4-fluorophenyl)-3-hydroxypiperidin-1-yl]propan-1-one
SMILESCCc1nccn1CCC(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H](O)C1
InChIInChI=1S/C19H24FN3O2/c1-2-18-21-9-12-22(18)11-8-19(25)23-10-7-16(17(24)13-23)14-3-5-15(20)6-4-14/h3-6,9,12,16-17,24H,2,7-8,10-11,13H2,1H3/t16-,17+/m0/s1
InChIKeyLRWIFFIGSGNIIM-DLBZAZTESA-N
MW345.42 g/mol
LogP2.35
Rot. Bonds5

About 3-(2-ethylimidazol-1-yl)-1-[(3S,4S)-4-(4-fluorophenyl)-3-hydroxypiperidin-1-yl]propan-1-one

3-(2-ethylimidazol-1-yl)-1-[(3S,4S)-4-(4-fluorophenyl)-3-hydroxypiperidin-1-yl]propan-1-one (PubChem CID 50968634) has the molecular formula C19H24FN3O2 and a molecular weight of 345.42 g/mol. Its IUPAC name is 3-(2-ethylimidazol-1-yl)-1-[(3S,4S)-4-(4-fluorophenyl)-3-hydroxypiperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(2-ethylimidazol-1-yl)-1-[(3S,4S)-4-(4-fluorophenyl)-3-hydroxypiperidin-1-yl]propan-1-one
PubChem CID50968634
Molecular FormulaC19H24FN3O2
Molecular Weight345.42 g/mol
Exact Mass345.19
IUPAC Name3-(2-ethylimidazol-1-yl)-1-[(3S,4S)-4-(4-fluorophenyl)-3-hydroxypiperidin-1-yl]propan-1-one
SMILESCCc1nccn1CCC(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H](O)C1
InChIInChI=1S/C19H24FN3O2/c1-2-18-21-9-12-22(18)11-8-19(25)23-10-7-16(17(24)13-23)14-3-5-15(20)6-4-14/h3-6,9,12,16-17,24H,2,7-8,10-11,13H2,1H3/t16-,17+/m0/s1
InChIKeyLRWIFFIGSGNIIM-DLBZAZTESA-N
XLogP2.35
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(2-ethylimidazol-1-yl)-1-[(3S,4S)-4-(4-fluorophenyl)-3-hydroxypiperidin-1-yl]propan-1-one 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 3-(2-ethylimidazol-1-yl)-1-[(3S,4S)-4-(4-fluorophenyl)-3-hydroxypiperidin-1-yl]propan-1-one?
The IUPAC name of 3-(2-ethylimidazol-1-yl)-1-[(3S,4S)-4-(4-fluorophenyl)-3-hydroxypiperidin-1-yl]propan-1-one (CID 50968634) is 3-(2-ethylimidazol-1-yl)-1-[(3S,4S)-4-(4-fluorophenyl)-3-hydroxypiperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(2-ethylimidazol-1-yl)-1-[(3S,4S)-4-(4-fluorophenyl)-3-hydroxypiperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(2-ethylimidazol-1-yl)-1-[(3S,4S)-4-(4-fluorophenyl)-3-hydroxypiperidin-1-yl]propan-1-one is CCc1nccn1CCC(=O)N1CC[C@@H](c2ccc(F)cc2)[C@H](O)C1.
What is the InChIKey of 3-(2-ethylimidazol-1-yl)-1-[(3S,4S)-4-(4-fluorophenyl)-3-hydroxypiperidin-1-yl]propan-1-one?
The InChIKey is LRWIFFIGSGNIIM-DLBZAZTESA-N. The full InChI is InChI=1S/C19H24FN3O2/c1-2-18-21-9-12-22(18)11-8-19(25)23-10-7-16(17(24)13-23)14-3-5-15(20)6-4-14/h3-6,9,12,16-17,24H,2,7-8,10-11,13H2,1H3/t16-,17+/m0/s1.
What are the key properties of 3-(2-ethylimidazol-1-yl)-1-[(3S,4S)-4-(4-fluorophenyl)-3-hydroxypiperidin-1-yl]propan-1-one?
3-(2-ethylimidazol-1-yl)-1-[(3S,4S)-4-(4-fluorophenyl)-3-hydroxypiperidin-1-yl]propan-1-one has a molecular weight of 345.42 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylimidazol-1-yl)-1-[(3S,4S)-4-(4-fluorophenyl)-3-hydroxypiperidin-1-yl]propan-1-one is sourced from PubChem (CID 50968634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).