(3S,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-3-prop-2-enyl-1-[(1R)-3,3,3-trifluoro-1-pyridin-2-ylpropyl]piperidin-2-one;(3S,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-3-prop-2-enyl-1-[(1S)-3,3,3-trifluoro-1-pyridin-2-ylpropyl]piperidin-2-one;methane

C59H58Cl4F6N4O2 — CID 159285483

About (3S,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-3-prop-2-enyl-1-[(1R)-3,3,3-trifluoro-1-pyridin-2-ylpropyl]piperidin-2-one;(3S,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-3-prop-2-enyl-1-[(1S)-3,3,3-trifluoro-1-pyridin-2-ylpropyl]piperidin-2-one;methane

(3S,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-3-prop-2-enyl-1-[(1R)-3,3,3-trifluoro-1-pyridin-2-ylpropyl]piperidin-2-one;(3S,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-3-prop-2-enyl-1-[(1S)-3,3,3-trifluoro-1-pyridin-2-ylpropyl]piperidin-2-one;methane (PubChem CID 159285483) has the molecular formula C59H58Cl4F6N4O2 and a molecular weight of 1110.94 g/mol. Its IUPAC name is (3S,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-3-prop-2-enyl-1-[(1R)-3,3,3-trifluoro-1-pyridin-2-ylpropyl]piperidin-2-one;(3S,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-3-prop-2-enyl-1-[(1S)-3,3,3-trifluoro-1-pyridin-2-ylpropyl]piperidin-2-one;methane.

Molecular Properties

• Compound Name: (3S,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-3-prop-2-enyl-1-[(1R)-3,3,3-trifluoro-1-pyridin-2-ylpropyl]piperidin-2-one;(3S,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-3-prop-2-enyl-1-[(1S)-3,3,3-trifluoro-1-pyridin-2-ylpropyl]piperidin-2-one;methane
• PubChem CID: 159285483
• Molecular Formula: C59H58Cl4F6N4O2
• Molecular Weight: 1110.94 g/mol
• Exact Mass: 1108.32
• IUPAC Name: (3S,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-3-prop-2-enyl-1-[(1R)-3,3,3-trifluoro-1-pyridin-2-ylpropyl]piperidin-2-one;(3S,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-3-prop-2-enyl-1-[(1S)-3,3,3-trifluoro-1-pyridin-2-ylpropyl]piperidin-2-one;methane
• SMILES: C.C=CC[C@@]1(C)C[C@H](c2cccc(Cl)c2)[C@@H](c2ccc(Cl)cc2)N([C@@H](CC(F)(F)F)c2ccccn2)C1=O.C=CC[C@@]1(C)C[C@H](c2cccc(Cl)c2)[C@@H](c2ccc(Cl)cc2)N([C@H](CC(F)(F)F)c2ccccn2)C1=O
• InChI: InChI=1S/2C29H27Cl2F3N2O.CH4/c2*1-3-14-28(2)17-23(20-7-6-8-22(31)16-20)26(19-10-12-21(30)13-11-19)36(27(28)37)25(18-29(32,33)34)24-9-4-5-15-35-24;/h2*3-13,15-16,23,25-26H,1,14,17-18H2,2H3;1H4/t23-,25+,26-,28+;23-,25-,26-,28+;/m11./s1
• InChIKey: KZLMOGREFOFCEI-GGSABNCXSA-N
• XLogP: 18.08
• TPSA: 66.40 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 14
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1110.94
LogP ≤ 5	18.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3S,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-3-prop-2-enyl-1-[(1R)-3,3,3-trifluoro-1-pyridin-2-ylpropyl]piperidin-2-one;(3S,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-3-prop-2-enyl-1-[(1S)-3,3,3-trifluoro-1-pyridin-2-ylpropyl]piperidin-2-one;methane?

The IUPAC name of (3S,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-3-prop-2-enyl-1-[(1R)-3,3,3-trifluoro-1-pyridin-2-ylpropyl]piperidin-2-one;(3S,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-3-prop-2-enyl-1-[(1S)-3,3,3-trifluoro-1-pyridin-2-ylpropyl]piperidin-2-one;methane (CID 159285483) is (3S,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-3-prop-2-enyl-1-[(1R)-3,3,3-trifluoro-1-pyridin-2-ylpropyl]piperidin-2-one;(3S,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-3-prop-2-enyl-1-[(1S)-3,3,3-trifluoro-1-pyridin-2-ylpropyl]piperidin-2-one;methane.

What is the SMILES notation for (3S,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-3-prop-2-enyl-1-[(1R)-3,3,3-trifluoro-1-pyridin-2-ylpropyl]piperidin-2-one;(3S,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-3-prop-2-enyl-1-[(1S)-3,3,3-trifluoro-1-pyridin-2-ylpropyl]piperidin-2-one;methane?

The canonical SMILES for (3S,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-3-prop-2-enyl-1-[(1R)-3,3,3-trifluoro-1-pyridin-2-ylpropyl]piperidin-2-one;(3S,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-3-prop-2-enyl-1-[(1S)-3,3,3-trifluoro-1-pyridin-2-ylpropyl]piperidin-2-one;methane is C.C=CC[C@@]1(C)C[C@H](c2cccc(Cl)c2)[C@@H](c2ccc(Cl)cc2)N([C@@H](CC(F)(F)F)c2ccccn2)C1=O.C=CC[C@@]1(C)C[C@H](c2cccc(Cl)c2)[C@@H](c2ccc(Cl)cc2)N([C@H](CC(F)(F)F)c2ccccn2)C1=O.

What is the InChIKey of (3S,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-3-prop-2-enyl-1-[(1R)-3,3,3-trifluoro-1-pyridin-2-ylpropyl]piperidin-2-one;(3S,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-3-prop-2-enyl-1-[(1S)-3,3,3-trifluoro-1-pyridin-2-ylpropyl]piperidin-2-one;methane?

The InChIKey is KZLMOGREFOFCEI-GGSABNCXSA-N. The full InChI is InChI=1S/2C29H27Cl2F3N2O.CH4/c2*1-3-14-28(2)17-23(20-7-6-8-22(31)16-20)26(19-10-12-21(30)13-11-19)36(27(28)37)25(18-29(32,33)34)24-9-4-5-15-35-24;/h2*3-13,15-16,23,25-26H,1,14,17-18H2,2H3;1H4/t23-,25+,26-,28+;23-,25-,26-,28+;/m11./s1.

What are the key properties of (3S,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-3-prop-2-enyl-1-[(1R)-3,3,3-trifluoro-1-pyridin-2-ylpropyl]piperidin-2-one;(3S,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-3-prop-2-enyl-1-[(1S)-3,3,3-trifluoro-1-pyridin-2-ylpropyl]piperidin-2-one;methane?

(3S,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-3-prop-2-enyl-1-[(1R)-3,3,3-trifluoro-1-pyridin-2-ylpropyl]piperidin-2-one;(3S,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-3-prop-2-enyl-1-[(1S)-3,3,3-trifluoro-1-pyridin-2-ylpropyl]piperidin-2-one;methane has a molecular weight of 1110.94 g/mol, XLogP of 18.08, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3S,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-3-prop-2-enyl-1-[(1R)-3,3,3-trifluoro-1-pyridin-2-ylpropyl]piperidin-2-one;(3S,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-3-prop-2-enyl-1-[(1S)-3,3,3-trifluoro-1-pyridin-2-ylpropyl]piperidin-2-one;methane is sourced from PubChem (CID 159285483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).