2-[2-[(E)-3-phenylprop-2-enyl]phenyl]-1-piperidin-1-ylethanone

C22H25NO — CID 67755700

IUPAC2-[2-[(E)-3-phenylprop-2-enyl]phenyl]-1-piperidin-1-ylethanone
SMILESO=C(Cc1ccccc1C/C=C/c1ccccc1)N1CCCCC1
InChIInChI=1S/C22H25NO/c24-22(23-16-7-2-8-17-23)18-21-14-6-5-13-20(21)15-9-12-19-10-3-1-4-11-19/h1,3-6,9-14H,2,7-8,15-18H2/b12-9+
InChIKeySLXROZVUWKSFPH-FMIVXFBMSA-N
MW319.45 g/mol
LogP4.50
Rot. Bonds5

About 2-[2-[(E)-3-phenylprop-2-enyl]phenyl]-1-piperidin-1-ylethanone

2-[2-[(E)-3-phenylprop-2-enyl]phenyl]-1-piperidin-1-ylethanone (PubChem CID 67755700) has the molecular formula C22H25NO and a molecular weight of 319.45 g/mol. Its IUPAC name is 2-[2-[(E)-3-phenylprop-2-enyl]phenyl]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[2-[(E)-3-phenylprop-2-enyl]phenyl]-1-piperidin-1-ylethanone
PubChem CID67755700
Molecular FormulaC22H25NO
Molecular Weight319.45 g/mol
Exact Mass319.19
IUPAC Name2-[2-[(E)-3-phenylprop-2-enyl]phenyl]-1-piperidin-1-ylethanone
SMILESO=C(Cc1ccccc1C/C=C/c1ccccc1)N1CCCCC1
InChIInChI=1S/C22H25NO/c24-22(23-16-7-2-8-17-23)18-21-14-6-5-13-20(21)15-9-12-19-10-3-1-4-11-19/h1,3-6,9-14H,2,7-8,15-18H2/b12-9+
InChIKeySLXROZVUWKSFPH-FMIVXFBMSA-N
XLogP4.50
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 ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-[2-[(E)-3-phenylprop-2-enyl]phenyl]-1-piperidin-1-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(E)-3-phenylprop-2-enyl]phenyl]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[2-[(E)-3-phenylprop-2-enyl]phenyl]-1-piperidin-1-ylethanone (CID 67755700) is 2-[2-[(E)-3-phenylprop-2-enyl]phenyl]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[2-[(E)-3-phenylprop-2-enyl]phenyl]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[2-[(E)-3-phenylprop-2-enyl]phenyl]-1-piperidin-1-ylethanone is O=C(Cc1ccccc1C/C=C/c1ccccc1)N1CCCCC1.
What is the InChIKey of 2-[2-[(E)-3-phenylprop-2-enyl]phenyl]-1-piperidin-1-ylethanone?
The InChIKey is SLXROZVUWKSFPH-FMIVXFBMSA-N. The full InChI is InChI=1S/C22H25NO/c24-22(23-16-7-2-8-17-23)18-21-14-6-5-13-20(21)15-9-12-19-10-3-1-4-11-19/h1,3-6,9-14H,2,7-8,15-18H2/b12-9+.
What are the key properties of 2-[2-[(E)-3-phenylprop-2-enyl]phenyl]-1-piperidin-1-ylethanone?
2-[2-[(E)-3-phenylprop-2-enyl]phenyl]-1-piperidin-1-ylethanone has a molecular weight of 319.45 g/mol, XLogP of 4.50, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(E)-3-phenylprop-2-enyl]phenyl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 67755700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).