1-[(4Z)-2,3-dibenzyl-4-benzylidenepiperidin-1-yl]-2-phenylethanone

C34H33NO — CID 22980449

IUPAC1-[(4Z)-2,3-dibenzyl-4-benzylidenepiperidin-1-yl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1CC/C(=C/c2ccccc2)C(Cc2ccccc2)C1Cc1ccccc1
InChIInChI=1S/C34H33NO/c36-34(26-30-19-11-4-12-20-30)35-22-21-31(23-27-13-5-1-6-14-27)32(24-28-15-7-2-8-16-28)33(35)25-29-17-9-3-10-18-29/h1-20,23,32-33H,21-22,24-26H2/b31-23-
InChIKeyQZVRRSKNBPTJEE-SXBRIOAWSA-N
MW471.64 g/mol
LogP7.02
Rot. Bonds7

About 1-[(4Z)-2,3-dibenzyl-4-benzylidenepiperidin-1-yl]-2-phenylethanone

1-[(4Z)-2,3-dibenzyl-4-benzylidenepiperidin-1-yl]-2-phenylethanone (PubChem CID 22980449) has the molecular formula C34H33NO and a molecular weight of 471.64 g/mol. Its IUPAC name is 1-[(4Z)-2,3-dibenzyl-4-benzylidenepiperidin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[(4Z)-2,3-dibenzyl-4-benzylidenepiperidin-1-yl]-2-phenylethanone
PubChem CID22980449
Molecular FormulaC34H33NO
Molecular Weight471.64 g/mol
Exact Mass471.26
IUPAC Name1-[(4Z)-2,3-dibenzyl-4-benzylidenepiperidin-1-yl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)N1CC/C(=C/c2ccccc2)C(Cc2ccccc2)C1Cc1ccccc1
InChIInChI=1S/C34H33NO/c36-34(26-30-19-11-4-12-20-30)35-22-21-31(23-27-13-5-1-6-14-27)32(24-28-15-7-2-8-16-28)33(35)25-29-17-9-3-10-18-29/h1-20,23,32-33H,21-22,24-26H2/b31-23-
InChIKeyQZVRRSKNBPTJEE-SXBRIOAWSA-N
XLogP7.02
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.64
LogP ≤ 57.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(2R,4E,6R)-2-benzyl-4-benzylidene-6-methylpiperidin-1-yl]-2-phenylethanone;(2S,6R)-2-benzyl-6-methyl-1-(2-phenylacetyl)piperidin-4-one;1-[(4E)-2,3-dibenzyl-4-benzylidenepiperidin-1-yl]-2-phenylethanone;2-phenyl-1-[(2S,3R)-2,3,4-tribenzylpiperidin-1-yl]ethanone;styrene
CID 157071378
1-[(2R,3R)-3-hydroxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-2-phenylethanone
CID 124821384
1-(azetidin-1-yl)-2-phenylethanone
CID 18670940
1-[(4R)-4-benzyl-1,3-oxazolidin-3-yl]-2-phenylethanone
CID 135240996
[(Z)-(2-benzylcyclopropylidene)methyl]benzene
CID 177477424
2-phenyl-1-[2-(3-phenylprop-2-enyl)piperidin-1-yl]ethanone
CID 54418313
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-phenylethanone
CID 875936
(3R,6S)-6-methyl-1-(2-phenylacetyl)piperidine-3-carboxylic acid
CID 169210694
1-[(2S,3S)-2-benzyl-3-hydroxypyrrolidin-1-yl]-3-pyrimidin-5-ylpropan-1-one
CID 131688189
1-[2-(aminomethyl)piperazin-1-yl]-2-phenylethanone
CID 113415473
(2S)-N-oxo-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 89035815
3-ethyl-1-(2-phenylacetyl)piperidin-4-one
CID 114508365

Frequently Asked Questions

What is the IUPAC name of 1-[(4Z)-2,3-dibenzyl-4-benzylidenepiperidin-1-yl]-2-phenylethanone?
The IUPAC name of 1-[(4Z)-2,3-dibenzyl-4-benzylidenepiperidin-1-yl]-2-phenylethanone (CID 22980449) is 1-[(4Z)-2,3-dibenzyl-4-benzylidenepiperidin-1-yl]-2-phenylethanone.
What is the SMILES notation for 1-[(4Z)-2,3-dibenzyl-4-benzylidenepiperidin-1-yl]-2-phenylethanone?
The canonical SMILES for 1-[(4Z)-2,3-dibenzyl-4-benzylidenepiperidin-1-yl]-2-phenylethanone is O=C(Cc1ccccc1)N1CC/C(=C/c2ccccc2)C(Cc2ccccc2)C1Cc1ccccc1.
What is the InChIKey of 1-[(4Z)-2,3-dibenzyl-4-benzylidenepiperidin-1-yl]-2-phenylethanone?
The InChIKey is QZVRRSKNBPTJEE-SXBRIOAWSA-N. The full InChI is InChI=1S/C34H33NO/c36-34(26-30-19-11-4-12-20-30)35-22-21-31(23-27-13-5-1-6-14-27)32(24-28-15-7-2-8-16-28)33(35)25-29-17-9-3-10-18-29/h1-20,23,32-33H,21-22,24-26H2/b31-23-.
What are the key properties of 1-[(4Z)-2,3-dibenzyl-4-benzylidenepiperidin-1-yl]-2-phenylethanone?
1-[(4Z)-2,3-dibenzyl-4-benzylidenepiperidin-1-yl]-2-phenylethanone has a molecular weight of 471.64 g/mol, XLogP of 7.02, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4Z)-2,3-dibenzyl-4-benzylidenepiperidin-1-yl]-2-phenylethanone is sourced from PubChem (CID 22980449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).