1-[(4-fluorophenyl)methyl]-5,5-dimethyl-3-[(6-morpholin-4-yl-2-pyridinyl)methylidene]-2-phenylpiperidin-4-one;1-(furan-2-ylmethyl)-5,5-dimethyl-2-phenyl-3-(pyridin-2-ylmethylidene)piperidin-4-one;2-methyl-3-[(6-morpholin-4-yl-2-pyridinyl)methylidene]-2-phenyl-1-(2-thiophen-2-ylethyl)piperidin-4-one

C82H87FN8O6S — CID 173104782

IUPAC1-[(4-fluorophenyl)methyl]-5,5-dimethyl-3-[(6-morpholin-4-yl-2-pyridinyl)methylidene]-2-phenylpiperidin-4-one;1-(furan-2-ylmethyl)-5,5-dimethyl-2-phenyl-3-(pyridin-2-ylmethylidene)piperidin-4-one;2-methyl-3-[(6-morpholin-4-yl-2-pyridinyl)methylidene]-2-phenyl-1-(2-thiophen-2-ylethyl)piperidin-4-one
SMILESCC1(C)CN(Cc2ccc(F)cc2)C(c2ccccc2)C(=Cc2cccc(N3CCOCC3)n2)C1=O.CC1(C)CN(Cc2ccco2)C(c2ccccc2)C(=Cc2ccccn2)C1=O.CC1(c2ccccc2)C(=Cc2cccc(N3CCOCC3)n2)C(=O)CCN1CCc1cccs1
InChIInChI=1S/C30H32FN3O2.C28H31N3O2S.C24H24N2O2/c1-30(2)21-34(20-22-11-13-24(31)14-12-22)28(23-7-4-3-5-8-23)26(29(30)35)19-25-9-6-10-27(32-25)33-15-17-36-18-16-33;1-28(22-7-3-2-4-8-22)25(26(32)13-15-31(28)14-12-24-10-6-20-34-24)21-23-9-5-11-27(29-23)30-16-18-33-19-17-30;1-24(2)17-26(16-20-12-8-14-28-20)22(18-9-4-3-5-10-18)21(23(24)27)15-19-11-6-7-13-25-19/h3-14,19,28H,15-18,20-21H2,1-2H3;2-11,20-21H,12-19H2,1H3;3-15,22H,16-17H2,1-2H3
InChIKeyMZNVCUNGKIEOBG-UHFFFAOYSA-N
MW1331.71 g/mol
LogP15.00
Rot. Bonds15

About 1-[(4-fluorophenyl)methyl]-5,5-dimethyl-3-[(6-morpholin-4-yl-2-pyridinyl)methylidene]-2-phenylpiperidin-4-one;1-(furan-2-ylmethyl)-5,5-dimethyl-2-phenyl-3-(pyridin-2-ylmethylidene)piperidin-4-one;2-methyl-3-[(6-morpholin-4-yl-2-pyridinyl)methylidene]-2-phenyl-1-(2-thiophen-2-ylethyl)piperidin-4-one

1-[(4-fluorophenyl)methyl]-5,5-dimethyl-3-[(6-morpholin-4-yl-2-pyridinyl)methylidene]-2-phenylpiperidin-4-one;1-(furan-2-ylmethyl)-5,5-dimethyl-2-phenyl-3-(pyridin-2-ylmethylidene)piperidin-4-one;2-methyl-3-[(6-morpholin-4-yl-2-pyridinyl)methylidene]-2-phenyl-1-(2-thiophen-2-ylethyl)piperidin-4-one (PubChem CID 173104782) has the molecular formula C82H87FN8O6S and a molecular weight of 1331.71 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-5,5-dimethyl-3-[(6-morpholin-4-yl-2-pyridinyl)methylidene]-2-phenylpiperidin-4-one;1-(furan-2-ylmethyl)-5,5-dimethyl-2-phenyl-3-(pyridin-2-ylmethylidene)piperidin-4-one;2-methyl-3-[(6-morpholin-4-yl-2-pyridinyl)methylidene]-2-phenyl-1-(2-thiophen-2-ylethyl)piperidin-4-one.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-5,5-dimethyl-3-[(6-morpholin-4-yl-2-pyridinyl)methylidene]-2-phenylpiperidin-4-one;1-(furan-2-ylmethyl)-5,5-dimethyl-2-phenyl-3-(pyridin-2-ylmethylidene)piperidin-4-one;2-methyl-3-[(6-morpholin-4-yl-2-pyridinyl)methylidene]-2-phenyl-1-(2-thiophen-2-ylethyl)piperidin-4-one
PubChem CID173104782
Molecular FormulaC82H87FN8O6S
Molecular Weight1331.71 g/mol
Exact Mass1330.65
IUPAC Name1-[(4-fluorophenyl)methyl]-5,5-dimethyl-3-[(6-morpholin-4-yl-2-pyridinyl)methylidene]-2-phenylpiperidin-4-one;1-(furan-2-ylmethyl)-5,5-dimethyl-2-phenyl-3-(pyridin-2-ylmethylidene)piperidin-4-one;2-methyl-3-[(6-morpholin-4-yl-2-pyridinyl)methylidene]-2-phenyl-1-(2-thiophen-2-ylethyl)piperidin-4-one
SMILESCC1(C)CN(Cc2ccc(F)cc2)C(c2ccccc2)C(=Cc2cccc(N3CCOCC3)n2)C1=O.CC1(C)CN(Cc2ccco2)C(c2ccccc2)C(=Cc2ccccn2)C1=O.CC1(c2ccccc2)C(=Cc2cccc(N3CCOCC3)n2)C(=O)CCN1CCc1cccs1
InChIInChI=1S/C30H32FN3O2.C28H31N3O2S.C24H24N2O2/c1-30(2)21-34(20-22-11-13-24(31)14-12-22)28(23-7-4-3-5-8-23)26(29(30)35)19-25-9-6-10-27(32-25)33-15-17-36-18-16-33;1-28(22-7-3-2-4-8-22)25(26(32)13-15-31(28)14-12-24-10-6-20-34-24)21-23-9-5-11-27(29-23)30-16-18-33-19-17-30;1-24(2)17-26(16-20-12-8-14-28-20)22(18-9-4-3-5-10-18)21(23(24)27)15-19-11-6-7-13-25-19/h3-14,19,28H,15-18,20-21H2,1-2H3;2-11,20-21H,12-19H2,1H3;3-15,22H,16-17H2,1-2H3
InChIKeyMZNVCUNGKIEOBG-UHFFFAOYSA-N
XLogP15.00
TPSA137.68 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds15
Heavy Atoms98
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001331.71
LogP ≤ 515.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 1-[(4-fluorophenyl)methyl]-5,5-dimethyl-3-[(6-morpholin-4-yl-2-pyridinyl)methylidene]-2-phenylpiperidin-4-one;1-(furan-2-ylmethyl)-5,5-dimethyl-2-phenyl-3-(pyridin-2-ylmethylidene)piperidin-4-one;2-methyl-3-[(6-morpholin-4-yl-2-pyridinyl)methylidene]-2-phenyl-1-(2-thiophen-2-ylethyl)piperidin-4-one 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 1-[(4-fluorophenyl)methyl]-5,5-dimethyl-3-[(6-morpholin-4-yl-2-pyridinyl)methylidene]-2-phenylpiperidin-4-one;1-(furan-2-ylmethyl)-5,5-dimethyl-2-phenyl-3-(pyridin-2-ylmethylidene)piperidin-4-one;2-methyl-3-[(6-morpholin-4-yl-2-pyridinyl)methylidene]-2-phenyl-1-(2-thiophen-2-ylethyl)piperidin-4-one?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-5,5-dimethyl-3-[(6-morpholin-4-yl-2-pyridinyl)methylidene]-2-phenylpiperidin-4-one;1-(furan-2-ylmethyl)-5,5-dimethyl-2-phenyl-3-(pyridin-2-ylmethylidene)piperidin-4-one;2-methyl-3-[(6-morpholin-4-yl-2-pyridinyl)methylidene]-2-phenyl-1-(2-thiophen-2-ylethyl)piperidin-4-one (CID 173104782) is 1-[(4-fluorophenyl)methyl]-5,5-dimethyl-3-[(6-morpholin-4-yl-2-pyridinyl)methylidene]-2-phenylpiperidin-4-one;1-(furan-2-ylmethyl)-5,5-dimethyl-2-phenyl-3-(pyridin-2-ylmethylidene)piperidin-4-one;2-methyl-3-[(6-morpholin-4-yl-2-pyridinyl)methylidene]-2-phenyl-1-(2-thiophen-2-ylethyl)piperidin-4-one.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-5,5-dimethyl-3-[(6-morpholin-4-yl-2-pyridinyl)methylidene]-2-phenylpiperidin-4-one;1-(furan-2-ylmethyl)-5,5-dimethyl-2-phenyl-3-(pyridin-2-ylmethylidene)piperidin-4-one;2-methyl-3-[(6-morpholin-4-yl-2-pyridinyl)methylidene]-2-phenyl-1-(2-thiophen-2-ylethyl)piperidin-4-one?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-5,5-dimethyl-3-[(6-morpholin-4-yl-2-pyridinyl)methylidene]-2-phenylpiperidin-4-one;1-(furan-2-ylmethyl)-5,5-dimethyl-2-phenyl-3-(pyridin-2-ylmethylidene)piperidin-4-one;2-methyl-3-[(6-morpholin-4-yl-2-pyridinyl)methylidene]-2-phenyl-1-(2-thiophen-2-ylethyl)piperidin-4-one is CC1(C)CN(Cc2ccc(F)cc2)C(c2ccccc2)C(=Cc2cccc(N3CCOCC3)n2)C1=O.CC1(C)CN(Cc2ccco2)C(c2ccccc2)C(=Cc2ccccn2)C1=O.CC1(c2ccccc2)C(=Cc2cccc(N3CCOCC3)n2)C(=O)CCN1CCc1cccs1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-5,5-dimethyl-3-[(6-morpholin-4-yl-2-pyridinyl)methylidene]-2-phenylpiperidin-4-one;1-(furan-2-ylmethyl)-5,5-dimethyl-2-phenyl-3-(pyridin-2-ylmethylidene)piperidin-4-one;2-methyl-3-[(6-morpholin-4-yl-2-pyridinyl)methylidene]-2-phenyl-1-(2-thiophen-2-ylethyl)piperidin-4-one?
The InChIKey is MZNVCUNGKIEOBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32FN3O2.C28H31N3O2S.C24H24N2O2/c1-30(2)21-34(20-22-11-13-24(31)14-12-22)28(23-7-4-3-5-8-23)26(29(30)35)19-25-9-6-10-27(32-25)33-15-17-36-18-16-33;1-28(22-7-3-2-4-8-22)25(26(32)13-15-31(28)14-12-24-10-6-20-34-24)21-23-9-5-11-27(29-23)30-16-18-33-19-17-30;1-24(2)17-26(16-20-12-8-14-28-20)22(18-9-4-3-5-10-18)21(23(24)27)15-19-11-6-7-13-25-19/h3-14,19,28H,15-18,20-21H2,1-2H3;2-11,20-21H,12-19H2,1H3;3-15,22H,16-17H2,1-2H3.
What are the key properties of 1-[(4-fluorophenyl)methyl]-5,5-dimethyl-3-[(6-morpholin-4-yl-2-pyridinyl)methylidene]-2-phenylpiperidin-4-one;1-(furan-2-ylmethyl)-5,5-dimethyl-2-phenyl-3-(pyridin-2-ylmethylidene)piperidin-4-one;2-methyl-3-[(6-morpholin-4-yl-2-pyridinyl)methylidene]-2-phenyl-1-(2-thiophen-2-ylethyl)piperidin-4-one?
1-[(4-fluorophenyl)methyl]-5,5-dimethyl-3-[(6-morpholin-4-yl-2-pyridinyl)methylidene]-2-phenylpiperidin-4-one;1-(furan-2-ylmethyl)-5,5-dimethyl-2-phenyl-3-(pyridin-2-ylmethylidene)piperidin-4-one;2-methyl-3-[(6-morpholin-4-yl-2-pyridinyl)methylidene]-2-phenyl-1-(2-thiophen-2-ylethyl)piperidin-4-one has a molecular weight of 1331.71 g/mol, XLogP of 15.00, 15 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-5,5-dimethyl-3-[(6-morpholin-4-yl-2-pyridinyl)methylidene]-2-phenylpiperidin-4-one;1-(furan-2-ylmethyl)-5,5-dimethyl-2-phenyl-3-(pyridin-2-ylmethylidene)piperidin-4-one;2-methyl-3-[(6-morpholin-4-yl-2-pyridinyl)methylidene]-2-phenyl-1-(2-thiophen-2-ylethyl)piperidin-4-one is sourced from PubChem (CID 173104782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).