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

C25H29FN2O2 — CID 76870125

IUPAC[4-(3-fluorophenyl)oxan-4-yl]-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
SMILESO=C(N1CCN(CC=Cc2ccccc2)CC1)C1(c2cccc(F)c2)CCOCC1
InChIInChI=1S/C25H29FN2O2/c26-23-10-4-9-22(20-23)25(11-18-30-19-12-25)24(29)28-16-14-27(15-17-28)13-5-8-21-6-2-1-3-7-21/h1-10,20H,11-19H2
InChIKeyICSLHBXDMMLRLL-UHFFFAOYSA-N
MW408.52 g/mol
LogP3.73
Rot. Bonds5

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

[4-(3-fluorophenyl)oxan-4-yl]-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone (PubChem CID 76870125) has the molecular formula C25H29FN2O2 and a molecular weight of 408.52 g/mol. Its IUPAC name is [4-(3-fluorophenyl)oxan-4-yl]-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-(3-fluorophenyl)oxan-4-yl]-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
PubChem CID76870125
Molecular FormulaC25H29FN2O2
Molecular Weight408.52 g/mol
Exact Mass408.22
IUPAC Name[4-(3-fluorophenyl)oxan-4-yl]-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
SMILESO=C(N1CCN(CC=Cc2ccccc2)CC1)C1(c2cccc(F)c2)CCOCC1
InChIInChI=1S/C25H29FN2O2/c26-23-10-4-9-22(20-23)25(11-18-30-19-12-25)24(29)28-16-14-27(15-17-28)13-5-8-21-6-2-1-3-7-21/h1-10,20H,11-19H2
InChIKeyICSLHBXDMMLRLL-UHFFFAOYSA-N
XLogP3.73
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.52
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [4-(3-fluorophenyl)oxan-4-yl]-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

[4-(3-chlorophenyl)oxan-4-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 60564252
[1-(3-fluorophenyl)cyclopentyl]-morpholin-4-ylmethanone
CID 112762933
(3-hydroxyoxetan-3-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 166264446
[4-[(1-ethylpyrazol-4-yl)methyl]piperazin-1-yl]-[4-(3-fluorophenyl)oxan-4-yl]methanone
CID 46957535
3-fluoro-N-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]benzamide
CID 112994563
2-(3-fluorophenyl)-N-[2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethyl]acetamide
CID 112994572
(2R)-4-[4-(3-fluorophenyl)oxane-4-carbonyl]morpholine-2-carboxylic acid
CID 125150565
2-[(2R)-4-[4-(3-fluorophenyl)oxane-4-carbonyl]morpholin-2-yl]acetic acid
CID 125133780
[4-(3-fluorophenyl)oxan-4-yl]-[(5S)-2-oxa-7-azaspiro[4.4]nonan-7-yl]methanone
CID 97077235
[4-(3-fluorophenyl)oxan-4-yl]-[(3R,4R)-3-(hydroxymethyl)-4-phenylpiperidin-1-yl]methanone
CID 126797777
1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl-[4-(3-fluorophenyl)oxan-4-yl]methanone
CID 71976708
[1-(3-fluorophenyl)cyclopentyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 55339053

Frequently Asked Questions

What is the IUPAC name of [4-(3-fluorophenyl)oxan-4-yl]-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone?
The IUPAC name of [4-(3-fluorophenyl)oxan-4-yl]-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone (CID 76870125) is [4-(3-fluorophenyl)oxan-4-yl]-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone.
What is the SMILES notation for [4-(3-fluorophenyl)oxan-4-yl]-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone?
The canonical SMILES for [4-(3-fluorophenyl)oxan-4-yl]-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone is O=C(N1CCN(CC=Cc2ccccc2)CC1)C1(c2cccc(F)c2)CCOCC1.
What is the InChIKey of [4-(3-fluorophenyl)oxan-4-yl]-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone?
The InChIKey is ICSLHBXDMMLRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN2O2/c26-23-10-4-9-22(20-23)25(11-18-30-19-12-25)24(29)28-16-14-27(15-17-28)13-5-8-21-6-2-1-3-7-21/h1-10,20H,11-19H2.
What are the key properties of [4-(3-fluorophenyl)oxan-4-yl]-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone?
[4-(3-fluorophenyl)oxan-4-yl]-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone has a molecular weight of 408.52 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-fluorophenyl)oxan-4-yl]-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone is sourced from PubChem (CID 76870125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).