(4-fluorophenyl)-[4-(1-phenylcyclobutanecarbonyl)piperazin-1-yl]methanone

C22H23FN2O2 — CID 36509634

IUPAC(4-fluorophenyl)-[4-(1-phenylcyclobutanecarbonyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(F)cc1)N1CCN(C(=O)C2(c3ccccc3)CCC2)CC1
InChIInChI=1S/C22H23FN2O2/c23-19-9-7-17(8-10-19)20(26)24-13-15-25(16-14-24)21(27)22(11-4-12-22)18-5-2-1-3-6-18/h1-3,5-10H,4,11-16H2
InChIKeyOOKACZCXGORTIP-UHFFFAOYSA-N
MW366.44 g/mol
LogP3.23
Rot. Bonds3

About (4-fluorophenyl)-[4-(1-phenylcyclobutanecarbonyl)piperazin-1-yl]methanone

(4-fluorophenyl)-[4-(1-phenylcyclobutanecarbonyl)piperazin-1-yl]methanone (PubChem CID 36509634) has the molecular formula C22H23FN2O2 and a molecular weight of 366.44 g/mol. Its IUPAC name is (4-fluorophenyl)-[4-(1-phenylcyclobutanecarbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[4-(1-phenylcyclobutanecarbonyl)piperazin-1-yl]methanone
PubChem CID36509634
Molecular FormulaC22H23FN2O2
Molecular Weight366.44 g/mol
Exact Mass366.17
IUPAC Name(4-fluorophenyl)-[4-(1-phenylcyclobutanecarbonyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc(F)cc1)N1CCN(C(=O)C2(c3ccccc3)CCC2)CC1
InChIInChI=1S/C22H23FN2O2/c23-19-9-7-17(8-10-19)20(26)24-13-15-25(16-14-24)21(27)22(11-4-12-22)18-5-2-1-3-6-18/h1-3,5-10H,4,11-16H2
InChIKeyOOKACZCXGORTIP-UHFFFAOYSA-N
XLogP3.23
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (4-fluorophenyl)-[4-(1-phenylcyclobutanecarbonyl)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

[4-(benzenesulfonyl)piperazin-1-yl]-[1-(4-fluorophenyl)cyclobutyl]methanone
CID 46561290
(1-phenylcyclobutyl)-piperazin-1-ylmethanone
CID 110463899
2-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]benzoic acid
CID 113083235
[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 119281941
(1-phenylcyclopentyl)-(4-phenylpiperazin-1-yl)methanone
CID 4048114
4-(4-fluorobenzoyl)piperazine-1-carbaldehyde
CID 2876745
1-benzoyl-4-phenylpiperidine-4-carboxylic acid
CID 22240952
4-(4-fluorobenzoyl)-1,4-diazepane-1-carboxylic acid
CID 67493364
4-[1-(4-fluorophenyl)cyclopentanecarbonyl]piperazine-1-sulfonamide
CID 51133844
(4-aminopiperidin-1-yl)-(1-phenylcyclobutyl)methanone;hydrochloride
CID 119374083
(1-phenylcyclopentyl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 135165735
[4-(1-hydroxycyclopentanecarbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone
CID 86275794

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[4-(1-phenylcyclobutanecarbonyl)piperazin-1-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[4-(1-phenylcyclobutanecarbonyl)piperazin-1-yl]methanone (CID 36509634) is (4-fluorophenyl)-[4-(1-phenylcyclobutanecarbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[4-(1-phenylcyclobutanecarbonyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[4-(1-phenylcyclobutanecarbonyl)piperazin-1-yl]methanone is O=C(c1ccc(F)cc1)N1CCN(C(=O)C2(c3ccccc3)CCC2)CC1.
What is the InChIKey of (4-fluorophenyl)-[4-(1-phenylcyclobutanecarbonyl)piperazin-1-yl]methanone?
The InChIKey is OOKACZCXGORTIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O2/c23-19-9-7-17(8-10-19)20(26)24-13-15-25(16-14-24)21(27)22(11-4-12-22)18-5-2-1-3-6-18/h1-3,5-10H,4,11-16H2.
What are the key properties of (4-fluorophenyl)-[4-(1-phenylcyclobutanecarbonyl)piperazin-1-yl]methanone?
(4-fluorophenyl)-[4-(1-phenylcyclobutanecarbonyl)piperazin-1-yl]methanone has a molecular weight of 366.44 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[4-(1-phenylcyclobutanecarbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 36509634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).