[2-(2-fluorophenyl)cyclopropyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone

C23H25FN2O — CID 55474971

IUPAC[2-(2-fluorophenyl)cyclopropyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
SMILESO=C(C1CC1c1ccccc1F)N1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C23H25FN2O/c24-22-11-5-4-10-19(22)20-17-21(20)23(27)26-15-13-25(14-16-26)12-6-9-18-7-2-1-3-8-18/h1-11,20-21H,12-17H2/b9-6+
InChIKeyRNBZURZFXOIATM-RMKNXTFCSA-N
MW364.46 g/mol
LogP3.79
Rot. Bonds5

About [2-(2-fluorophenyl)cyclopropyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone

[2-(2-fluorophenyl)cyclopropyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone (PubChem CID 55474971) has the molecular formula C23H25FN2O and a molecular weight of 364.46 g/mol. Its IUPAC name is [2-(2-fluorophenyl)cyclopropyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[2-(2-fluorophenyl)cyclopropyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
PubChem CID55474971
Molecular FormulaC23H25FN2O
Molecular Weight364.46 g/mol
Exact Mass364.20
IUPAC Name[2-(2-fluorophenyl)cyclopropyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
SMILESO=C(C1CC1c1ccccc1F)N1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C23H25FN2O/c24-22-11-5-4-10-19(22)20-17-21(20)23(27)26-15-13-25(14-16-26)12-6-9-18-7-2-1-3-8-18/h1-11,20-21H,12-17H2/b9-6+
InChIKeyRNBZURZFXOIATM-RMKNXTFCSA-N
XLogP3.79
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.46
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[2-(2-fluorophenyl)cyclopropanecarbonyl]piperazin-1-yl]-1-morpholin-4-ylethanone
CID 86914646
(1S,6R)-6-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]cyclohex-3-ene-1-carboxylic acid
CID 6979724
3,4-dimethyl-6-[4-(3-phenylprop-2-enyl)piperazine-1-carbonyl]cyclohex-3-ene-1-carboxylic acid
CID 3132194
(1R,6R)-3,4-dimethyl-6-[4-(3-phenylprop-2-enyl)piperazine-1-carbonyl]cyclohex-3-ene-1-carboxylic acid
CID 91168088
2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid
CID 12051420
N-(2-fluorophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide
CID 6466016
2-(2-fluorophenoxy)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanone
CID 112977261
(1S,2R,3S,4R)-3-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 99720180
N-cyclohexyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]cyclopropane-1-carboxamide
CID 109132423
cyclobutyl-[4-(3-phenylprop-2-enyl)-1,4-diazepan-1-yl]methanone
CID 171335990
2-methylsulfanyl-1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]ethanone
CID 112790630
1-(4-acetylpiperazin-1-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethane-1,2-dione
CID 108984484

Frequently Asked Questions

What is the IUPAC name of [2-(2-fluorophenyl)cyclopropyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone?
The IUPAC name of [2-(2-fluorophenyl)cyclopropyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone (CID 55474971) is [2-(2-fluorophenyl)cyclopropyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone.
What is the SMILES notation for [2-(2-fluorophenyl)cyclopropyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone?
The canonical SMILES for [2-(2-fluorophenyl)cyclopropyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone is O=C(C1CC1c1ccccc1F)N1CCN(C/C=C/c2ccccc2)CC1.
What is the InChIKey of [2-(2-fluorophenyl)cyclopropyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone?
The InChIKey is RNBZURZFXOIATM-RMKNXTFCSA-N. The full InChI is InChI=1S/C23H25FN2O/c24-22-11-5-4-10-19(22)20-17-21(20)23(27)26-15-13-25(14-16-26)12-6-9-18-7-2-1-3-8-18/h1-11,20-21H,12-17H2/b9-6+.
What are the key properties of [2-(2-fluorophenyl)cyclopropyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone?
[2-(2-fluorophenyl)cyclopropyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone has a molecular weight of 364.46 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-fluorophenyl)cyclopropyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone is sourced from PubChem (CID 55474971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).