(2-fluorophenyl)-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone

C16H19FN4O — CID 90533244

IUPAC(2-fluorophenyl)-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone
SMILESO=C(c1ccccc1F)N1CCN(CCn2ccnc2)CC1
InChIInChI=1S/C16H19FN4O/c17-15-4-2-1-3-14(15)16(22)21-11-9-19(10-12-21)7-8-20-6-5-18-13-20/h1-6,13H,7-12H2
InChIKeySUYVCFHXNVKLPD-UHFFFAOYSA-N
MW302.35 g/mol
LogP1.48
Rot. Bonds4

About (2-fluorophenyl)-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone

(2-fluorophenyl)-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone (PubChem CID 90533244) has the molecular formula C16H19FN4O and a molecular weight of 302.35 g/mol. Its IUPAC name is (2-fluorophenyl)-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-fluorophenyl)-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone
PubChem CID90533244
Molecular FormulaC16H19FN4O
Molecular Weight302.35 g/mol
Exact Mass302.15
IUPAC Name(2-fluorophenyl)-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone
SMILESO=C(c1ccccc1F)N1CCN(CCn2ccnc2)CC1
InChIInChI=1S/C16H19FN4O/c17-15-4-2-1-3-14(15)16(22)21-11-9-19(10-12-21)7-8-20-6-5-18-13-20/h1-6,13H,7-12H2
InChIKeySUYVCFHXNVKLPD-UHFFFAOYSA-N
XLogP1.48
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2-fluorophenyl)-[4-(2-imidazol-1-ylethyl)piperazin-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

(3,4-difluorophenyl)-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone
CID 71788576
[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 71788592
[4-(2-imidazol-1-ylethyl)-1,4-diazepan-1-yl]-(1H-indol-3-yl)methanone
CID 137340536
(4-butylpiperazin-1-yl)-(2-fluorophenyl)methanone
CID 113072774
(2,5-dimethylfuran-3-yl)-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone
CID 71788591
(3-chlorophenyl)-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone
CID 71788574
(3-bromophenyl)-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone
CID 90533249
2-fluoro-N-[2-[4-(2-fluorobenzoyl)piperazin-1-yl]ethyl]benzamide
CID 3455522
1-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-4-phenylbutan-1-one
CID 71788587
[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-(3-nitrophenyl)methanone
CID 90533257
4-(2-imidazol-1-ylethyl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 90533532
[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-(2-fluorophenyl)methanone;hydrochloride
CID 21275355

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone?
The IUPAC name of (2-fluorophenyl)-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone (CID 90533244) is (2-fluorophenyl)-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-fluorophenyl)-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone?
The canonical SMILES for (2-fluorophenyl)-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone is O=C(c1ccccc1F)N1CCN(CCn2ccnc2)CC1.
What is the InChIKey of (2-fluorophenyl)-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone?
The InChIKey is SUYVCFHXNVKLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O/c17-15-4-2-1-3-14(15)16(22)21-11-9-19(10-12-21)7-8-20-6-5-18-13-20/h1-6,13H,7-12H2.
What are the key properties of (2-fluorophenyl)-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone?
(2-fluorophenyl)-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone has a molecular weight of 302.35 g/mol, XLogP of 1.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 90533244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).