3-[3-[1-(1-ethylpiperidin-3-yl)-4,5-dimethylimidazol-2-yl]phenyl]-N-hydroxyprop-2-enamide

C21H28N4O2 — CID 72767174

IUPAC3-[3-[1-(1-ethylpiperidin-3-yl)-4,5-dimethylimidazol-2-yl]phenyl]-N-hydroxyprop-2-enamide
SMILESCCN1CCCC(n2c(-c3cccc(C=CC(=O)NO)c3)nc(C)c2C)C1
InChIInChI=1S/C21H28N4O2/c1-4-24-12-6-9-19(14-24)25-16(3)15(2)22-21(25)18-8-5-7-17(13-18)10-11-20(26)23-27/h5,7-8,10-11,13,19,27H,4,6,9,12,14H2,1-3H3,(H,23,26)
InChIKeyBMVUXKYOODZALF-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.34
Rot. Bonds5

About 3-[3-[1-(1-ethylpiperidin-3-yl)-4,5-dimethylimidazol-2-yl]phenyl]-N-hydroxyprop-2-enamide

3-[3-[1-(1-ethylpiperidin-3-yl)-4,5-dimethylimidazol-2-yl]phenyl]-N-hydroxyprop-2-enamide (PubChem CID 72767174) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 3-[3-[1-(1-ethylpiperidin-3-yl)-4,5-dimethylimidazol-2-yl]phenyl]-N-hydroxyprop-2-enamide.

Molecular Properties

Compound Name3-[3-[1-(1-ethylpiperidin-3-yl)-4,5-dimethylimidazol-2-yl]phenyl]-N-hydroxyprop-2-enamide
PubChem CID72767174
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name3-[3-[1-(1-ethylpiperidin-3-yl)-4,5-dimethylimidazol-2-yl]phenyl]-N-hydroxyprop-2-enamide
SMILESCCN1CCCC(n2c(-c3cccc(C=CC(=O)NO)c3)nc(C)c2C)C1
InChIInChI=1S/C21H28N4O2/c1-4-24-12-6-9-19(14-24)25-16(3)15(2)22-21(25)18-8-5-7-17(13-18)10-11-20(26)23-27/h5,7-8,10-11,13,19,27H,4,6,9,12,14H2,1-3H3,(H,23,26)
InChIKeyBMVUXKYOODZALF-UHFFFAOYSA-N
XLogP3.34
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-[3-[1-(1-ethylpiperidin-3-yl)-4,5-dimethylimidazol-2-yl]phenyl]-N-hydroxyprop-2-enamide 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-[3-[1-(1-ethylpiperidin-3-yl)-4,5-dimethylimidazol-2-yl]phenyl]-N-hydroxyprop-2-enamide?
The IUPAC name of 3-[3-[1-(1-ethylpiperidin-3-yl)-4,5-dimethylimidazol-2-yl]phenyl]-N-hydroxyprop-2-enamide (CID 72767174) is 3-[3-[1-(1-ethylpiperidin-3-yl)-4,5-dimethylimidazol-2-yl]phenyl]-N-hydroxyprop-2-enamide.
What is the SMILES notation for 3-[3-[1-(1-ethylpiperidin-3-yl)-4,5-dimethylimidazol-2-yl]phenyl]-N-hydroxyprop-2-enamide?
The canonical SMILES for 3-[3-[1-(1-ethylpiperidin-3-yl)-4,5-dimethylimidazol-2-yl]phenyl]-N-hydroxyprop-2-enamide is CCN1CCCC(n2c(-c3cccc(C=CC(=O)NO)c3)nc(C)c2C)C1.
What is the InChIKey of 3-[3-[1-(1-ethylpiperidin-3-yl)-4,5-dimethylimidazol-2-yl]phenyl]-N-hydroxyprop-2-enamide?
The InChIKey is BMVUXKYOODZALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-4-24-12-6-9-19(14-24)25-16(3)15(2)22-21(25)18-8-5-7-17(13-18)10-11-20(26)23-27/h5,7-8,10-11,13,19,27H,4,6,9,12,14H2,1-3H3,(H,23,26).
What are the key properties of 3-[3-[1-(1-ethylpiperidin-3-yl)-4,5-dimethylimidazol-2-yl]phenyl]-N-hydroxyprop-2-enamide?
3-[3-[1-(1-ethylpiperidin-3-yl)-4,5-dimethylimidazol-2-yl]phenyl]-N-hydroxyprop-2-enamide has a molecular weight of 368.48 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[1-(1-ethylpiperidin-3-yl)-4,5-dimethylimidazol-2-yl]phenyl]-N-hydroxyprop-2-enamide is sourced from PubChem (CID 72767174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).