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

C125H128N4O5 — CID 157071378

IUPAC1-[(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
SMILESC=Cc1ccccc1.C[C@@H]1C/C(=C\c2ccccc2)C[C@H](Cc2ccccc2)N1C(=O)Cc1ccccc1.C[C@@H]1CC(=O)C[C@H](Cc2ccccc2)N1C(=O)Cc1ccccc1.O=C(Cc1ccccc1)N1CC/C(=C\c2ccccc2)C(Cc2ccccc2)C1Cc1ccccc1.O=C(Cc1ccccc1)N1CCC(Cc2ccccc2)[C@@H](Cc2ccccc2)[C@@H]1Cc1ccccc1
InChIInChI=1S/C34H35NO.C34H33NO.C28H29NO.C21H23NO2.C8H8/c2*36-34(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;1-22-17-26(18-23-11-5-2-6-12-23)20-27(19-24-13-7-3-8-14-24)29(22)28(30)21-25-15-9-4-10-16-25;1-16-12-20(23)15-19(13-17-8-4-2-5-9-17)22(16)21(24)14-18-10-6-3-7-11-18;1-2-8-6-4-3-5-7-8/h1-20,31-33H,21-26H2;1-20,23,32-33H,21-22,24-26H2;2-16,18,22,27H,17,19-21H2,1H3;2-11,16,19H,12-15H2,1H3;2-7H,1H2/b;31-23+;26-18+;;/t31?,32-,33+;;22-,27+;16-,19+;/m1.11./s1
InChIKeyACLXZBUKRCFJHJ-SUFWVSMSSA-N
MW1766.42 g/mol
LogP25.49
Rot. Bonds25

About 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

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 (PubChem CID 157071378) has the molecular formula C125H128N4O5 and a molecular weight of 1766.42 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[(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
PubChem CID157071378
Molecular FormulaC125H128N4O5
Molecular Weight1766.42 g/mol
Exact Mass1764.99
IUPAC Name1-[(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
SMILESC=Cc1ccccc1.C[C@@H]1C/C(=C\c2ccccc2)C[C@H](Cc2ccccc2)N1C(=O)Cc1ccccc1.C[C@@H]1CC(=O)C[C@H](Cc2ccccc2)N1C(=O)Cc1ccccc1.O=C(Cc1ccccc1)N1CC/C(=C\c2ccccc2)C(Cc2ccccc2)C1Cc1ccccc1.O=C(Cc1ccccc1)N1CCC(Cc2ccccc2)[C@@H](Cc2ccccc2)[C@@H]1Cc1ccccc1
InChIInChI=1S/C34H35NO.C34H33NO.C28H29NO.C21H23NO2.C8H8/c2*36-34(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;1-22-17-26(18-23-11-5-2-6-12-23)20-27(19-24-13-7-3-8-14-24)29(22)28(30)21-25-15-9-4-10-16-25;1-16-12-20(23)15-19(13-17-8-4-2-5-9-17)22(16)21(24)14-18-10-6-3-7-11-18;1-2-8-6-4-3-5-7-8/h1-20,31-33H,21-26H2;1-20,23,32-33H,21-22,24-26H2;2-16,18,22,27H,17,19-21H2,1H3;2-11,16,19H,12-15H2,1H3;2-7H,1H2/b;31-23+;26-18+;;/t31?,32-,33+;;22-,27+;16-,19+;/m1.11./s1
InChIKeyACLXZBUKRCFJHJ-SUFWVSMSSA-N
XLogP25.49
TPSA98.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds25
Heavy Atoms134
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001766.42
LogP ≤ 525.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=Cc1ccccc1.C[C@@H]1C/C(=C\c2ccccc2)C[C@H](Cc2ccccc2)N1C(=O)Cc1ccccc1.C[C@@H]1CC(=O)C[C@H](Cc2ccccc2)N1C(=O)Cc1ccccc1.O=C(Cc1ccccc1)N1CC/C(=C\c2ccccc2)C(Cc2ccccc2)C1Cc1ccccc1.O=C(Cc1ccccc1)N1CCC(Cc2ccccc2)[C@@H](Cc2ccccc2)[C@@H]1Cc1ccccc1.
What is the InChIKey of 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?
The InChIKey is ACLXZBUKRCFJHJ-SUFWVSMSSA-N. The full InChI is InChI=1S/C34H35NO.C34H33NO.C28H29NO.C21H23NO2.C8H8/c2*36-34(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;1-22-17-26(18-23-11-5-2-6-12-23)20-27(19-24-13-7-3-8-14-24)29(22)28(30)21-25-15-9-4-10-16-25;1-16-12-20(23)15-19(13-17-8-4-2-5-9-17)22(16)21(24)14-18-10-6-3-7-11-18;1-2-8-6-4-3-5-7-8/h1-20,31-33H,21-26H2;1-20,23,32-33H,21-22,24-26H2;2-16,18,22,27H,17,19-21H2,1H3;2-11,16,19H,12-15H2,1H3;2-7H,1H2/b;31-23+;26-18+;;/t31?,32-,33+;;22-,27+;16-,19+;/m1.11./s1.
What are the key properties of 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?
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 has a molecular weight of 1766.42 g/mol, XLogP of 25.49, 25 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157071378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).