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

C112H121FN6O5 — CID 160887656

IUPAC1-[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
SMILESCC(=O)N(C)c1ccc(C(=C2CCNCC2)c2cccc(F)c2)cc1.CC(=O)c1ccc(C(=C2CCN(Cc3ccccc3)CC2)c2cccc(C)c2)cc1.CC(=O)c1ccc(C(=C2CCNCC2)c2ccc(C)cc2)cc1.CC(=O)c1ccc(C(=C2CCNCC2)c2cccc(C)c2)cc1.CC(=O)c1ccc(C(=C2CCNCC2)c2cccc(C)c2)cc1
InChIInChI=1S/C28H29NO.C21H23FN2O.3C21H23NO/c1-21-7-6-10-27(19-21)28(25-13-11-24(12-14-25)22(2)30)26-15-17-29(18-16-26)20-23-8-4-3-5-9-23;1-15(25)24(2)20-8-6-16(7-9-20)21(17-10-12-23-13-11-17)18-4-3-5-19(22)14-18;1-15-3-5-18(6-4-15)21(20-11-13-22-14-12-20)19-9-7-17(8-10-19)16(2)23;2*1-15-4-3-5-20(14-15)21(19-10-12-22-13-11-19)18-8-6-17(7-9-18)16(2)23/h3-14,19H,15-18,20H2,1-2H3;3-9,14,23H,10-13H2,1-2H3;3-10,22H,11-14H2,1-2H3;2*3-9,14,22H,10-13H2,1-2H3
InChIKeySNVVHTYORKBUQW-UHFFFAOYSA-N
MW1650.23 g/mol
LogP23.44
Rot. Bonds17

About 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

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 (PubChem CID 160887656) has the molecular formula C112H121FN6O5 and a molecular weight of 1650.23 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID160887656
Molecular FormulaC112H121FN6O5
Molecular Weight1650.23 g/mol
Exact Mass1648.94
IUPAC Name1-[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
SMILESCC(=O)N(C)c1ccc(C(=C2CCNCC2)c2cccc(F)c2)cc1.CC(=O)c1ccc(C(=C2CCN(Cc3ccccc3)CC2)c2cccc(C)c2)cc1.CC(=O)c1ccc(C(=C2CCNCC2)c2ccc(C)cc2)cc1.CC(=O)c1ccc(C(=C2CCNCC2)c2cccc(C)c2)cc1.CC(=O)c1ccc(C(=C2CCNCC2)c2cccc(C)c2)cc1
InChIInChI=1S/C28H29NO.C21H23FN2O.3C21H23NO/c1-21-7-6-10-27(19-21)28(25-13-11-24(12-14-25)22(2)30)26-15-17-29(18-16-26)20-23-8-4-3-5-9-23;1-15(25)24(2)20-8-6-16(7-9-20)21(17-10-12-23-13-11-17)18-4-3-5-19(22)14-18;1-15-3-5-18(6-4-15)21(20-11-13-22-14-12-20)19-9-7-17(8-10-19)16(2)23;2*1-15-4-3-5-20(14-15)21(19-10-12-22-13-11-19)18-8-6-17(7-9-18)16(2)23/h3-14,19H,15-18,20H2,1-2H3;3-9,14,23H,10-13H2,1-2H3;3-10,22H,11-14H2,1-2H3;2*3-9,14,22H,10-13H2,1-2H3
InChIKeySNVVHTYORKBUQW-UHFFFAOYSA-N
XLogP23.44
TPSA139.95 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds17
Heavy Atoms124
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001650.23
LogP ≤ 523.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)N(C)c1ccc(C(=C2CCNCC2)c2cccc(F)c2)cc1.CC(=O)c1ccc(C(=C2CCN(Cc3ccccc3)CC2)c2cccc(C)c2)cc1.CC(=O)c1ccc(C(=C2CCNCC2)c2ccc(C)cc2)cc1.CC(=O)c1ccc(C(=C2CCNCC2)c2cccc(C)c2)cc1.CC(=O)c1ccc(C(=C2CCNCC2)c2cccc(C)c2)cc1.
What is the InChIKey of 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?
The InChIKey is SNVVHTYORKBUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29NO.C21H23FN2O.3C21H23NO/c1-21-7-6-10-27(19-21)28(25-13-11-24(12-14-25)22(2)30)26-15-17-29(18-16-26)20-23-8-4-3-5-9-23;1-15(25)24(2)20-8-6-16(7-9-20)21(17-10-12-23-13-11-17)18-4-3-5-19(22)14-18;1-15-3-5-18(6-4-15)21(20-11-13-22-14-12-20)19-9-7-17(8-10-19)16(2)23;2*1-15-4-3-5-20(14-15)21(19-10-12-22-13-11-19)18-8-6-17(7-9-18)16(2)23/h3-14,19H,15-18,20H2,1-2H3;3-9,14,23H,10-13H2,1-2H3;3-10,22H,11-14H2,1-2H3;2*3-9,14,22H,10-13H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 1650.23 g/mol, XLogP of 23.44, 17 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160887656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).