2-phenyl-1-[2-(3-phenylprop-2-enyl)piperidin-1-yl]ethanone

C22H25NO — CID 54418313

IUPAC2-phenyl-1-[2-(3-phenylprop-2-enyl)piperidin-1-yl]ethanone
SMILESO=C(Cc1ccccc1)N1CCCCC1CC=Cc1ccccc1
InChIInChI=1S/C22H25NO/c24-22(18-20-12-5-2-6-13-20)23-17-8-7-15-21(23)16-9-14-19-10-3-1-4-11-19/h1-6,9-14,21H,7-8,15-18H2
InChIKeyVZAAQZQRBMNWBQ-UHFFFAOYSA-N
MW319.45 g/mol
LogP4.71
Rot. Bonds5

About 2-phenyl-1-[2-(3-phenylprop-2-enyl)piperidin-1-yl]ethanone

2-phenyl-1-[2-(3-phenylprop-2-enyl)piperidin-1-yl]ethanone (PubChem CID 54418313) has the molecular formula C22H25NO and a molecular weight of 319.45 g/mol. Its IUPAC name is 2-phenyl-1-[2-(3-phenylprop-2-enyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-phenyl-1-[2-(3-phenylprop-2-enyl)piperidin-1-yl]ethanone
PubChem CID54418313
Molecular FormulaC22H25NO
Molecular Weight319.45 g/mol
Exact Mass319.19
IUPAC Name2-phenyl-1-[2-(3-phenylprop-2-enyl)piperidin-1-yl]ethanone
SMILESO=C(Cc1ccccc1)N1CCCCC1CC=Cc1ccccc1
InChIInChI=1S/C22H25NO/c24-22(18-20-12-5-2-6-13-20)23-17-8-7-15-21(23)16-9-14-19-10-3-1-4-11-19/h1-6,9-14,21H,7-8,15-18H2
InChIKeyVZAAQZQRBMNWBQ-UHFFFAOYSA-N
XLogP4.71
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[2-(2-hydroxypropyl)piperidin-1-yl]-2-(3-methylphenyl)ethanone
CID 79548752
1-[2-(2-hydroxypropyl)azepan-1-yl]-2-(3-methylphenyl)ethanone
CID 79540297
2-(3-hydroxyphenyl)-1-[2-(2-hydroxypropyl)azepan-1-yl]ethanone
CID 79540436
1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-phenylethanone
CID 62469494
(E)-1-[2-(hydroxymethyl)azepan-1-yl]-3-phenylprop-2-en-1-one
CID 116635920
1-(2-ethylpiperidin-1-yl)-2-(3-hydroxyphenyl)ethanone
CID 61399838
2-[1-(2-pyridin-4-ylacetyl)piperidin-2-yl]acetic acid
CID 54899853
N-hydroxy-3-[4-[1-(2-phenylacetyl)pyrrolidin-2-yl]phenyl]prop-2-enamide
CID 76728695
1-[2-(bromomethyl)piperidin-1-yl]-2-(4-bromophenyl)ethanone
CID 80659749
2-(1,3-benzodioxol-5-yl)-1-[2-(2,2-diphenylethyl)piperidin-1-yl]ethanone
CID 19034041
2-[1-(2-phenylacetyl)piperidin-4-yl]-1-[(2S)-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethanone
CID 92633667
1-[2-(aminomethyl)azepan-1-yl]-2-(3-methylphenyl)ethanone
CID 116639946

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-[2-(3-phenylprop-2-enyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-phenyl-1-[2-(3-phenylprop-2-enyl)piperidin-1-yl]ethanone (CID 54418313) is 2-phenyl-1-[2-(3-phenylprop-2-enyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-phenyl-1-[2-(3-phenylprop-2-enyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-phenyl-1-[2-(3-phenylprop-2-enyl)piperidin-1-yl]ethanone is O=C(Cc1ccccc1)N1CCCCC1CC=Cc1ccccc1.
What is the InChIKey of 2-phenyl-1-[2-(3-phenylprop-2-enyl)piperidin-1-yl]ethanone?
The InChIKey is VZAAQZQRBMNWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO/c24-22(18-20-12-5-2-6-13-20)23-17-8-7-15-21(23)16-9-14-19-10-3-1-4-11-19/h1-6,9-14,21H,7-8,15-18H2.
What are the key properties of 2-phenyl-1-[2-(3-phenylprop-2-enyl)piperidin-1-yl]ethanone?
2-phenyl-1-[2-(3-phenylprop-2-enyl)piperidin-1-yl]ethanone has a molecular weight of 319.45 g/mol, XLogP of 4.71, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-[2-(3-phenylprop-2-enyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 54418313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).