2-(4,4-difluoropiperidin-1-yl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]ethanone;1-[4-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-morpholin-4-ylethanone;1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-morpholin-4-ylethanone;1-[2-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-oxoethyl]piperidine-4-carbonitrile;1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-[(2R)-2-phenylmorpholin-4-yl]ethanone

C109H155F2N11O13 — CID 158579182

About 2-(4,4-difluoropiperidin-1-yl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]ethanone;1-[4-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-morpholin-4-ylethanone;1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-morpholin-4-ylethanone;1-[2-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-oxoethyl]piperidine-4-carbonitrile;1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-[(2R)-2-phenylmorpholin-4-yl]ethanone

2-(4,4-difluoropiperidin-1-yl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]ethanone;1-[4-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-morpholin-4-ylethanone;1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-morpholin-4-ylethanone;1-[2-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-oxoethyl]piperidine-4-carbonitrile;1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-[(2R)-2-phenylmorpholin-4-yl]ethanone (PubChem CID 158579182) has the molecular formula C109H155F2N11O13 and a molecular weight of 1865.50 g/mol. Its IUPAC name is 2-(4,4-difluoropiperidin-1-yl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]ethanone;1-[4-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-morpholin-4-ylethanone;1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-morpholin-4-ylethanone;1-[2-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-oxoethyl]piperidine-4-carbonitrile;1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-[(2R)-2-phenylmorpholin-4-yl]ethanone.

Molecular Properties

• Compound Name: 2-(4,4-difluoropiperidin-1-yl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]ethanone;1-[4-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-morpholin-4-ylethanone;1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-morpholin-4-ylethanone;1-[2-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-oxoethyl]piperidine-4-carbonitrile;1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-[(2R)-2-phenylmorpholin-4-yl]ethanone
• PubChem CID: 158579182
• Molecular Formula: C109H155F2N11O13
• Molecular Weight: 1865.50 g/mol
• Exact Mass: 1864.18
• IUPAC Name: 2-(4,4-difluoropiperidin-1-yl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]ethanone;1-[4-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-morpholin-4-ylethanone;1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-morpholin-4-ylethanone;1-[2-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-oxoethyl]piperidine-4-carbonitrile;1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-[(2R)-2-phenylmorpholin-4-yl]ethanone
• SMILES: C[C@@H]1CCCN1CCCOc1ccc(C(=O)CN2CCC(C#N)CC2)cc1.C[C@@H]1CCCN1CCCOc1ccc(C(=O)CN2CCC(F)(F)CC2)cc1.C[C@@H]1CCCN1CCCOc1ccc(C(=O)CN2CCOCC2)cc1.C[C@@H]1CCCN1CCCOc1ccc(C(=O)CN2CCO[C@H](c3ccccc3)C2)cc1.C[C@H]1CCCN1CCCOc1ccc(C(=O)CN2CCOCC2)cc1
• InChI: InChI=1S/C26H34N2O3.C22H31N3O2.C21H30F2N2O2.2C20H30N2O3/c1-21-7-5-14-28(21)15-6-17-30-24-12-10-22(11-13-24)25(29)19-27-16-18-31-26(20-27)23-8-3-2-4-9-23;1-18-4-2-11-25(18)12-3-15-27-21-7-5-20(6-8-21)22(26)17-24-13-9-19(16-23)10-14-24;1-17-4-2-11-25(17)12-3-15-27-19-7-5-18(6-8-19)20(26)16-24-13-9-21(22,23)10-14-24;2*1-17-4-2-9-22(17)10-3-13-25-19-7-5-18(6-8-19)20(23)16-21-11-14-24-15-12-21/h2-4,8-13,21,26H,5-7,14-20H2,1H3;5-8,18-19H,2-4,9-15,17H2,1H3;5-8,17H,2-4,9-16H2,1H3;2*5-8,17H,2-4,9-16H2,1H3/t21-,26+;18-;3*17-/m11110/s1
• InChIKey: HTAPFPQMSNXKEE-ODJLGNCISA-N
• XLogP: 16.32
• TPSA: 215.38 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 41
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1865.50
LogP ≤ 5	16.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]ethanone;1-[4-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-morpholin-4-ylethanone;1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-morpholin-4-ylethanone;1-[2-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-oxoethyl]piperidine-4-carbonitrile;1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-[(2R)-2-phenylmorpholin-4-yl]ethanone?

The IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]ethanone;1-[4-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-morpholin-4-ylethanone;1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-morpholin-4-ylethanone;1-[2-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-oxoethyl]piperidine-4-carbonitrile;1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-[(2R)-2-phenylmorpholin-4-yl]ethanone (CID 158579182) is 2-(4,4-difluoropiperidin-1-yl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]ethanone;1-[4-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-morpholin-4-ylethanone;1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-morpholin-4-ylethanone;1-[2-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-oxoethyl]piperidine-4-carbonitrile;1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-[(2R)-2-phenylmorpholin-4-yl]ethanone.

What is the SMILES notation for 2-(4,4-difluoropiperidin-1-yl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]ethanone;1-[4-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-morpholin-4-ylethanone;1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-morpholin-4-ylethanone;1-[2-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-oxoethyl]piperidine-4-carbonitrile;1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-[(2R)-2-phenylmorpholin-4-yl]ethanone?

The canonical SMILES for 2-(4,4-difluoropiperidin-1-yl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]ethanone;1-[4-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-morpholin-4-ylethanone;1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-morpholin-4-ylethanone;1-[2-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-oxoethyl]piperidine-4-carbonitrile;1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-[(2R)-2-phenylmorpholin-4-yl]ethanone is C[C@@H]1CCCN1CCCOc1ccc(C(=O)CN2CCC(C#N)CC2)cc1.C[C@@H]1CCCN1CCCOc1ccc(C(=O)CN2CCC(F)(F)CC2)cc1.C[C@@H]1CCCN1CCCOc1ccc(C(=O)CN2CCOCC2)cc1.C[C@@H]1CCCN1CCCOc1ccc(C(=O)CN2CCO[C@H](c3ccccc3)C2)cc1.C[C@H]1CCCN1CCCOc1ccc(C(=O)CN2CCOCC2)cc1.

What is the InChIKey of 2-(4,4-difluoropiperidin-1-yl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]ethanone;1-[4-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-morpholin-4-ylethanone;1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-morpholin-4-ylethanone;1-[2-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-oxoethyl]piperidine-4-carbonitrile;1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-[(2R)-2-phenylmorpholin-4-yl]ethanone?

The InChIKey is HTAPFPQMSNXKEE-ODJLGNCISA-N. The full InChI is InChI=1S/C26H34N2O3.C22H31N3O2.C21H30F2N2O2.2C20H30N2O3/c1-21-7-5-14-28(21)15-6-17-30-24-12-10-22(11-13-24)25(29)19-27-16-18-31-26(20-27)23-8-3-2-4-9-23;1-18-4-2-11-25(18)12-3-15-27-21-7-5-20(6-8-21)22(26)17-24-13-9-19(16-23)10-14-24;1-17-4-2-11-25(17)12-3-15-27-19-7-5-18(6-8-19)20(26)16-24-13-9-21(22,23)10-14-24;2*1-17-4-2-9-22(17)10-3-13-25-19-7-5-18(6-8-19)20(23)16-21-11-14-24-15-12-21/h2-4,8-13,21,26H,5-7,14-20H2,1H3;5-8,18-19H,2-4,9-15,17H2,1H3;5-8,17H,2-4,9-16H2,1H3;2*5-8,17H,2-4,9-16H2,1H3/t21-,26+;18-;3*17-/m11110/s1.

What are the key properties of 2-(4,4-difluoropiperidin-1-yl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]ethanone;1-[4-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-morpholin-4-ylethanone;1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-morpholin-4-ylethanone;1-[2-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-oxoethyl]piperidine-4-carbonitrile;1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-[(2R)-2-phenylmorpholin-4-yl]ethanone?

2-(4,4-difluoropiperidin-1-yl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]ethanone;1-[4-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-morpholin-4-ylethanone;1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-morpholin-4-ylethanone;1-[2-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-oxoethyl]piperidine-4-carbonitrile;1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-[(2R)-2-phenylmorpholin-4-yl]ethanone has a molecular weight of 1865.50 g/mol, XLogP of 16.32, 41 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4,4-difluoropiperidin-1-yl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]ethanone;1-[4-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-morpholin-4-ylethanone;1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-morpholin-4-ylethanone;1-[2-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-oxoethyl]piperidine-4-carbonitrile;1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-[(2R)-2-phenylmorpholin-4-yl]ethanone is sourced from PubChem (CID 158579182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).