1-[4-[[1-[(4-methylphenyl)methyl]piperidin-4-ylidene]-phenylmethyl]phenyl]ethanone

C28H29NO — CID 23383814

IUPAC1-[4-[[1-[(4-methylphenyl)methyl]piperidin-4-ylidene]-phenylmethyl]phenyl]ethanone
SMILESCC(=O)c1ccc(C(=C2CCN(Cc3ccc(C)cc3)CC2)c2ccccc2)cc1
InChIInChI=1S/C28H29NO/c1-21-8-10-23(11-9-21)20-29-18-16-27(17-19-29)28(25-6-4-3-5-7-25)26-14-12-24(13-15-26)22(2)30/h3-15H,16-20H2,1-2H3
InChIKeyUQCBAXJVKMMPSF-UHFFFAOYSA-N
MW395.55 g/mol
LogP6.30
Rot. Bonds5

About 1-[4-[[1-[(4-methylphenyl)methyl]piperidin-4-ylidene]-phenylmethyl]phenyl]ethanone

1-[4-[[1-[(4-methylphenyl)methyl]piperidin-4-ylidene]-phenylmethyl]phenyl]ethanone (PubChem CID 23383814) has the molecular formula C28H29NO and a molecular weight of 395.55 g/mol. Its IUPAC name is 1-[4-[[1-[(4-methylphenyl)methyl]piperidin-4-ylidene]-phenylmethyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[[1-[(4-methylphenyl)methyl]piperidin-4-ylidene]-phenylmethyl]phenyl]ethanone
PubChem CID23383814
Molecular FormulaC28H29NO
Molecular Weight395.55 g/mol
Exact Mass395.22
IUPAC Name1-[4-[[1-[(4-methylphenyl)methyl]piperidin-4-ylidene]-phenylmethyl]phenyl]ethanone
SMILESCC(=O)c1ccc(C(=C2CCN(Cc3ccc(C)cc3)CC2)c2ccccc2)cc1
InChIInChI=1S/C28H29NO/c1-21-8-10-23(11-9-21)20-29-18-16-27(17-19-29)28(25-6-4-3-5-7-25)26-14-12-24(13-15-26)22(2)30/h3-15H,16-20H2,1-2H3
InChIKeyUQCBAXJVKMMPSF-UHFFFAOYSA-N
XLogP6.30
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.55
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[4-[[1-[(4-methylphenyl)methyl]piperidin-4-ylidene]-phenylmethyl]phenyl]ethanone 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

1-[4-[(1-benzylpiperidin-4-ylidene)-(3-methylphenyl)methyl]phenyl]ethanone;N-[4-[(3-fluorophenyl)-piperidin-4-ylidenemethyl]phenyl]-N-methylacetamide;bis(1-[4-[(3-methylphenyl)-piperidin-4-ylidenemethyl]phenyl]ethanone);1-[4-[(4-methylphenyl)-piperidin-4-ylidenemethyl]phenyl]ethanone
CID 160887656
4-(4-benzhydrylidenepiperidin-1-yl)butan-2-one
CID 59641773
4-[(1-benzylpiperidin-4-ylidene)-(4-chlorophenyl)methyl]-N,N-diethylbenzamide
CID 23435903
4-[(1-benzylpiperidin-4-ylidene)-(3-hydroxyphenyl)methyl]-N,N-diethylbenzamide
CID 10226133
[1-[(4-methylphenyl)methyl]piperidin-4-yl] benzoate;hydrochloride
CID 18919781
2-(4-benzhydrylidenepiperidin-1-yl)-1-phenylethanone
CID 110183664
ethane;1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]ethanone
CID 142962243
1-[4-[(1-cyclohexylpiperidin-4-ylidene)-phenylmethyl]phenyl]ethanone
CID 23383773
4-[bis(4-methylphenyl)methylidene]-1-(3-chloropropyl)piperidine
CID 21478599
N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 2729497
4-[(4-benzylpiperazin-1-yl)methyl]-N-[(Z)-1-(4-methylphenyl)ethylideneamino]benzamide
CID 92662299
2-(4-benzhydrylidenepiperidin-1-yl)-N-propan-2-ylacetamide
CID 58820394

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[1-[(4-methylphenyl)methyl]piperidin-4-ylidene]-phenylmethyl]phenyl]ethanone?
The IUPAC name of 1-[4-[[1-[(4-methylphenyl)methyl]piperidin-4-ylidene]-phenylmethyl]phenyl]ethanone (CID 23383814) is 1-[4-[[1-[(4-methylphenyl)methyl]piperidin-4-ylidene]-phenylmethyl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[[1-[(4-methylphenyl)methyl]piperidin-4-ylidene]-phenylmethyl]phenyl]ethanone?
The canonical SMILES for 1-[4-[[1-[(4-methylphenyl)methyl]piperidin-4-ylidene]-phenylmethyl]phenyl]ethanone is CC(=O)c1ccc(C(=C2CCN(Cc3ccc(C)cc3)CC2)c2ccccc2)cc1.
What is the InChIKey of 1-[4-[[1-[(4-methylphenyl)methyl]piperidin-4-ylidene]-phenylmethyl]phenyl]ethanone?
The InChIKey is UQCBAXJVKMMPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29NO/c1-21-8-10-23(11-9-21)20-29-18-16-27(17-19-29)28(25-6-4-3-5-7-25)26-14-12-24(13-15-26)22(2)30/h3-15H,16-20H2,1-2H3.
What are the key properties of 1-[4-[[1-[(4-methylphenyl)methyl]piperidin-4-ylidene]-phenylmethyl]phenyl]ethanone?
1-[4-[[1-[(4-methylphenyl)methyl]piperidin-4-ylidene]-phenylmethyl]phenyl]ethanone has a molecular weight of 395.55 g/mol, XLogP of 6.30, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[1-[(4-methylphenyl)methyl]piperidin-4-ylidene]-phenylmethyl]phenyl]ethanone is sourced from PubChem (CID 23383814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).