(3-methylimidazol-3-ium-1-yl)-(4-phenylpiperazin-1-yl)methanone

C15H19N4O+ — CID 39871302

IUPAC(3-methylimidazol-3-ium-1-yl)-(4-phenylpiperazin-1-yl)methanone
SMILESC[n+]1ccn(C(=O)N2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C15H19N4O/c1-16-7-8-19(13-16)15(20)18-11-9-17(10-12-18)14-5-3-2-4-6-14/h2-8,13H,9-12H2,1H3/q+1
InChIKeyGUTLIBYUBBQFCU-UHFFFAOYSA-N
MW271.34 g/mol
LogP1.10
Rot. Bonds1

About (3-methylimidazol-3-ium-1-yl)-(4-phenylpiperazin-1-yl)methanone

(3-methylimidazol-3-ium-1-yl)-(4-phenylpiperazin-1-yl)methanone (PubChem CID 39871302) has the molecular formula C15H19N4O+ and a molecular weight of 271.34 g/mol. Its IUPAC name is (3-methylimidazol-3-ium-1-yl)-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3-methylimidazol-3-ium-1-yl)-(4-phenylpiperazin-1-yl)methanone
PubChem CID39871302
Molecular FormulaC15H19N4O+
Molecular Weight271.34 g/mol
Exact Mass271.16
IUPAC Name(3-methylimidazol-3-ium-1-yl)-(4-phenylpiperazin-1-yl)methanone
SMILESC[n+]1ccn(C(=O)N2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C15H19N4O/c1-16-7-8-19(13-16)15(20)18-11-9-17(10-12-18)14-5-3-2-4-6-14/h2-8,13H,9-12H2,1H3/q+1
InChIKeyGUTLIBYUBBQFCU-UHFFFAOYSA-N
XLogP1.10
TPSA32.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze (3-methylimidazol-3-ium-1-yl)-(4-phenylpiperazin-1-yl)methanone with MolForge

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

Launch Full Analysis

Related Compounds

(3-methylimidazol-3-ium-1-yl)-[4-(2,2,2-trifluoro-1-phenylethylidene)piperidin-1-yl]methanone iodide
CID 175553575
[4-(3-methylpiperidine-1-carbonyl)phenyl]-(4-phenylpiperazin-1-yl)methanone
CID 109048199
(3-methylimidazol-3-ium-1-yl)-(4-propylpiperidin-1-yl)methanone
CID 62206116
2-(2,3-dimethylimidazol-3-ium-1-yl)-1-(4-phenylpiperazin-1-yl)ethanone chloride
CID 87584525
4-[2-oxo-2-(4-phenylpiperazin-1-yl)acetyl]piperazine-1-carbaldehyde
CID 108530923
bis[4-(4-phenylpiperazine-1-carbonyl)phenyl]methanone
CID 86192907
2-oxo-2-(4-phenylpiperazin-1-yl)acetate
CID 2051799
1-(4-phenylpiperazin-1-yl)-2-piperidin-1-ylethane-1,2-dione
CID 2200683
N-methyl-N,4-diphenylpiperazine-1-carboxamide
CID 890140
1-(4-phenylpiperazin-1-yl)pentane-1,4-dione
CID 60636215
1-(4-phenylpiperazin-1-yl)butane-1,2-dione
CID 70905363
(2-hydroxy-3,4-dimethylphenyl)-(4-phenylpiperazin-1-yl)methanone
CID 87011127

Frequently Asked Questions

What is the IUPAC name of (3-methylimidazol-3-ium-1-yl)-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of (3-methylimidazol-3-ium-1-yl)-(4-phenylpiperazin-1-yl)methanone (CID 39871302) is (3-methylimidazol-3-ium-1-yl)-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for (3-methylimidazol-3-ium-1-yl)-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for (3-methylimidazol-3-ium-1-yl)-(4-phenylpiperazin-1-yl)methanone is C[n+]1ccn(C(=O)N2CCN(c3ccccc3)CC2)c1.
What is the InChIKey of (3-methylimidazol-3-ium-1-yl)-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is GUTLIBYUBBQFCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N4O/c1-16-7-8-19(13-16)15(20)18-11-9-17(10-12-18)14-5-3-2-4-6-14/h2-8,13H,9-12H2,1H3/q+1.
What are the key properties of (3-methylimidazol-3-ium-1-yl)-(4-phenylpiperazin-1-yl)methanone?
(3-methylimidazol-3-ium-1-yl)-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 271.34 g/mol, XLogP of 1.10, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylimidazol-3-ium-1-yl)-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 39871302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).