2-bicyclo[2.2.1]hept-5-enyl-(4-phenylpiperazin-1-yl)methanone

C18H22N2O — CID 4881286

IUPAC2-bicyclo[2.2.1]hept-5-enyl-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(C1CC2C=CC1C2)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H22N2O/c21-18(17-13-14-6-7-15(17)12-14)20-10-8-19(9-11-20)16-4-2-1-3-5-16/h1-7,14-15,17H,8-13H2
InChIKeyXFIHTPPEWXZMBK-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.55
Rot. Bonds2

About 2-bicyclo[2.2.1]hept-5-enyl-(4-phenylpiperazin-1-yl)methanone

2-bicyclo[2.2.1]hept-5-enyl-(4-phenylpiperazin-1-yl)methanone (PubChem CID 4881286) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]hept-5-enyl-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name2-bicyclo[2.2.1]hept-5-enyl-(4-phenylpiperazin-1-yl)methanone
PubChem CID4881286
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name2-bicyclo[2.2.1]hept-5-enyl-(4-phenylpiperazin-1-yl)methanone
SMILESO=C(C1CC2C=CC1C2)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C18H22N2O/c21-18(17-13-14-6-7-15(17)12-14)20-10-8-19(9-11-20)16-4-2-1-3-5-16/h1-7,14-15,17H,8-13H2
InChIKeyXFIHTPPEWXZMBK-UHFFFAOYSA-N
XLogP2.55
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-bicyclo[2.2.1]hept-5-enyl-(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

Piperazine, 1-(cyclobutylcarbonyl)-4-phenyl-
CID 216017
Cyclopentylfentanyl
CID 126682248
1-Benzoyl-4-phenylpiperazine
CID 258240
8-{2-[4-(2-Fluoro-phenyl)-piperazin-1-yl]-ethyl}-8-aza-spiro[4.5]decane-7,9-dione
CID 9864325
8-{2-[4-(2,5-Difluorophenyl)piperazin-1-yl]ethyl)-8-azaspiro[4.5]decane-7,9-dione
CID 9908478
1-[4-(4-Fluorophenyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 710849
N-phenyl-N-[2-(4-phenylpiperidin-1-yl)propyl]propanamide
CID 3048549
Cyclohexanecarboxylic acid {4-[2-(4-phenyl-piperazin-1-yl)-ethyl]-cyclohexyl}-amide
CID 9865584
2-(4-Fluorophenyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 797923
2-[(2S)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 16245119
Cyclopentyl-[3-(4-fluoroanilino)piperidino]methanone
CID 24790190
1-(5-Bicyclo[2.2.1]hept-2-enylmethyl)-4-phenylpiperazine
CID 2845487

Frequently Asked Questions

What is the IUPAC name of 2-bicyclo[2.2.1]hept-5-enyl-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of 2-bicyclo[2.2.1]hept-5-enyl-(4-phenylpiperazin-1-yl)methanone (CID 4881286) is 2-bicyclo[2.2.1]hept-5-enyl-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for 2-bicyclo[2.2.1]hept-5-enyl-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for 2-bicyclo[2.2.1]hept-5-enyl-(4-phenylpiperazin-1-yl)methanone is O=C(C1CC2C=CC1C2)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-bicyclo[2.2.1]hept-5-enyl-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is XFIHTPPEWXZMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c21-18(17-13-14-6-7-15(17)12-14)20-10-8-19(9-11-20)16-4-2-1-3-5-16/h1-7,14-15,17H,8-13H2.
What are the key properties of 2-bicyclo[2.2.1]hept-5-enyl-(4-phenylpiperazin-1-yl)methanone?
2-bicyclo[2.2.1]hept-5-enyl-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 282.39 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bicyclo[2.2.1]hept-5-enyl-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 4881286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).