2-(3,3-difluoropyrrolidin-1-yl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]ethanone;2-(2,6-dimethylpiperidin-1-yl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]ethanone;2-(2,5-dimethylpyrrolidin-1-yl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]ethanone;1-[4-[3-(4-methylsulfonylpiperazin-1-yl)propoxy]phenyl]-2-morpholin-4-ylethanone;4-[3-[4-(2-morpholin-4-ylacetyl)phenoxy]propyl]piperazin-2-one

C104H156F2N12O15S — CID 157264691

About 2-(3,3-difluoropyrrolidin-1-yl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]ethanone;2-(2,6-dimethylpiperidin-1-yl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]ethanone;2-(2,5-dimethylpyrrolidin-1-yl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]ethanone;1-[4-[3-(4-methylsulfonylpiperazin-1-yl)propoxy]phenyl]-2-morpholin-4-ylethanone;4-[3-[4-(2-morpholin-4-ylacetyl)phenoxy]propyl]piperazin-2-one

2-(3,3-difluoropyrrolidin-1-yl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]ethanone;2-(2,6-dimethylpiperidin-1-yl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]ethanone;2-(2,5-dimethylpyrrolidin-1-yl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]ethanone;1-[4-[3-(4-methylsulfonylpiperazin-1-yl)propoxy]phenyl]-2-morpholin-4-ylethanone;4-[3-[4-(2-morpholin-4-ylacetyl)phenoxy]propyl]piperazin-2-one (PubChem CID 157264691) has the molecular formula C104H156F2N12O15S and a molecular weight of 1884.52 g/mol. Its IUPAC name is 2-(3,3-difluoropyrrolidin-1-yl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]ethanone;2-(2,6-dimethylpiperidin-1-yl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]ethanone;2-(2,5-dimethylpyrrolidin-1-yl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]ethanone;1-[4-[3-(4-methylsulfonylpiperazin-1-yl)propoxy]phenyl]-2-morpholin-4-ylethanone;4-[3-[4-(2-morpholin-4-ylacetyl)phenoxy]propyl]piperazin-2-one.

Molecular Properties

• Compound Name: 2-(3,3-difluoropyrrolidin-1-yl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]ethanone;2-(2,6-dimethylpiperidin-1-yl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]ethanone;2-(2,5-dimethylpyrrolidin-1-yl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]ethanone;1-[4-[3-(4-methylsulfonylpiperazin-1-yl)propoxy]phenyl]-2-morpholin-4-ylethanone;4-[3-[4-(2-morpholin-4-ylacetyl)phenoxy]propyl]piperazin-2-one
• PubChem CID: 157264691
• Molecular Formula: C104H156F2N12O15S
• Molecular Weight: 1884.52 g/mol
• Exact Mass: 1883.15
• IUPAC Name: 2-(3,3-difluoropyrrolidin-1-yl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]ethanone;2-(2,6-dimethylpiperidin-1-yl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]ethanone;2-(2,5-dimethylpyrrolidin-1-yl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]ethanone;1-[4-[3-(4-methylsulfonylpiperazin-1-yl)propoxy]phenyl]-2-morpholin-4-ylethanone;4-[3-[4-(2-morpholin-4-ylacetyl)phenoxy]propyl]piperazin-2-one
• SMILES: CC1CCC(C)N1CC(=O)c1ccc(OCCCN2CCC[C@H]2C)cc1.CC1CCCC(C)N1CC(=O)c1ccc(OCCCN2CCC[C@H]2C)cc1.CS(=O)(=O)N1CCN(CCCOc2ccc(C(=O)CN3CCOCC3)cc2)CC1.C[C@@H]1CCCN1CCCOc1ccc(C(=O)CN2CCC(F)(F)C2)cc1.O=C1CN(CCCOc2ccc(C(=O)CN3CCOCC3)cc2)CCN1
• InChI: InChI=1S/C23H36N2O2.C22H34N2O2.C20H28F2N2O2.C20H31N3O5S.C19H27N3O4/c1-18-9-5-14-24(18)15-6-16-27-22-12-10-21(11-13-22)23(26)17-25-19(2)7-4-8-20(25)3;1-17-6-4-13-23(17)14-5-15-26-21-11-9-20(10-12-21)22(25)16-24-18(2)7-8-19(24)3;1-16-4-2-10-24(16)11-3-13-26-18-7-5-17(6-8-18)19(25)14-23-12-9-20(21,22)15-23;1-29(25,26)23-10-8-21(9-11-23)7-2-14-28-19-5-3-18(4-6-19)20(24)17-22-12-15-27-16-13-22;23-18(14-22-9-12-25-13-10-22)16-2-4-17(5-3-16)26-11-1-7-21-8-6-20-19(24)15-21/h10-13,18-20H,4-9,14-17H2,1-3H3;9-12,17-19H,4-8,13-16H2,1-3H3;5-8,16H,2-4,9-15H2,1H3;3-6H,2,7-17H2,1H3;2-5H,1,6-15H2,(H,20,24)/t18-,19?,20?;17-,18?,19?;16-;;/m111../s1
• InChIKey: AXWARMSHDPNTFY-OEPVGWJRSA-N
• XLogP: 12.79
• TPSA: 248.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 25
• Rotatable Bonds: 41
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1884.52
LogP ≤ 5	12.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluoropyrrolidin-1-yl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]ethanone;2-(2,6-dimethylpiperidin-1-yl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]ethanone;2-(2,5-dimethylpyrrolidin-1-yl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]ethanone;1-[4-[3-(4-methylsulfonylpiperazin-1-yl)propoxy]phenyl]-2-morpholin-4-ylethanone;4-[3-[4-(2-morpholin-4-ylacetyl)phenoxy]propyl]piperazin-2-one?

The IUPAC name of 2-(3,3-difluoropyrrolidin-1-yl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]ethanone;2-(2,6-dimethylpiperidin-1-yl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]ethanone;2-(2,5-dimethylpyrrolidin-1-yl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]ethanone;1-[4-[3-(4-methylsulfonylpiperazin-1-yl)propoxy]phenyl]-2-morpholin-4-ylethanone;4-[3-[4-(2-morpholin-4-ylacetyl)phenoxy]propyl]piperazin-2-one (CID 157264691) is 2-(3,3-difluoropyrrolidin-1-yl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]ethanone;2-(2,6-dimethylpiperidin-1-yl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]ethanone;2-(2,5-dimethylpyrrolidin-1-yl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]ethanone;1-[4-[3-(4-methylsulfonylpiperazin-1-yl)propoxy]phenyl]-2-morpholin-4-ylethanone;4-[3-[4-(2-morpholin-4-ylacetyl)phenoxy]propyl]piperazin-2-one.

What is the SMILES notation for 2-(3,3-difluoropyrrolidin-1-yl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]ethanone;2-(2,6-dimethylpiperidin-1-yl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]ethanone;2-(2,5-dimethylpyrrolidin-1-yl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]ethanone;1-[4-[3-(4-methylsulfonylpiperazin-1-yl)propoxy]phenyl]-2-morpholin-4-ylethanone;4-[3-[4-(2-morpholin-4-ylacetyl)phenoxy]propyl]piperazin-2-one?

The canonical SMILES for 2-(3,3-difluoropyrrolidin-1-yl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]ethanone;2-(2,6-dimethylpiperidin-1-yl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]ethanone;2-(2,5-dimethylpyrrolidin-1-yl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]ethanone;1-[4-[3-(4-methylsulfonylpiperazin-1-yl)propoxy]phenyl]-2-morpholin-4-ylethanone;4-[3-[4-(2-morpholin-4-ylacetyl)phenoxy]propyl]piperazin-2-one is CC1CCC(C)N1CC(=O)c1ccc(OCCCN2CCC[C@H]2C)cc1.CC1CCCC(C)N1CC(=O)c1ccc(OCCCN2CCC[C@H]2C)cc1.CS(=O)(=O)N1CCN(CCCOc2ccc(C(=O)CN3CCOCC3)cc2)CC1.C[C@@H]1CCCN1CCCOc1ccc(C(=O)CN2CCC(F)(F)C2)cc1.O=C1CN(CCCOc2ccc(C(=O)CN3CCOCC3)cc2)CCN1.

What is the InChIKey of 2-(3,3-difluoropyrrolidin-1-yl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]ethanone;2-(2,6-dimethylpiperidin-1-yl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]ethanone;2-(2,5-dimethylpyrrolidin-1-yl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]ethanone;1-[4-[3-(4-methylsulfonylpiperazin-1-yl)propoxy]phenyl]-2-morpholin-4-ylethanone;4-[3-[4-(2-morpholin-4-ylacetyl)phenoxy]propyl]piperazin-2-one?

The InChIKey is AXWARMSHDPNTFY-OEPVGWJRSA-N. The full InChI is InChI=1S/C23H36N2O2.C22H34N2O2.C20H28F2N2O2.C20H31N3O5S.C19H27N3O4/c1-18-9-5-14-24(18)15-6-16-27-22-12-10-21(11-13-22)23(26)17-25-19(2)7-4-8-20(25)3;1-17-6-4-13-23(17)14-5-15-26-21-11-9-20(10-12-21)22(25)16-24-18(2)7-8-19(24)3;1-16-4-2-10-24(16)11-3-13-26-18-7-5-17(6-8-18)19(25)14-23-12-9-20(21,22)15-23;1-29(25,26)23-10-8-21(9-11-23)7-2-14-28-19-5-3-18(4-6-19)20(24)17-22-12-15-27-16-13-22;23-18(14-22-9-12-25-13-10-22)16-2-4-17(5-3-16)26-11-1-7-21-8-6-20-19(24)15-21/h10-13,18-20H,4-9,14-17H2,1-3H3;9-12,17-19H,4-8,13-16H2,1-3H3;5-8,16H,2-4,9-15H2,1H3;3-6H,2,7-17H2,1H3;2-5H,1,6-15H2,(H,20,24)/t18-,19?,20?;17-,18?,19?;16-;;/m111../s1.

What are the key properties of 2-(3,3-difluoropyrrolidin-1-yl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]ethanone;2-(2,6-dimethylpiperidin-1-yl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]ethanone;2-(2,5-dimethylpyrrolidin-1-yl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]ethanone;1-[4-[3-(4-methylsulfonylpiperazin-1-yl)propoxy]phenyl]-2-morpholin-4-ylethanone;4-[3-[4-(2-morpholin-4-ylacetyl)phenoxy]propyl]piperazin-2-one?

2-(3,3-difluoropyrrolidin-1-yl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]ethanone;2-(2,6-dimethylpiperidin-1-yl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]ethanone;2-(2,5-dimethylpyrrolidin-1-yl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]ethanone;1-[4-[3-(4-methylsulfonylpiperazin-1-yl)propoxy]phenyl]-2-morpholin-4-ylethanone;4-[3-[4-(2-morpholin-4-ylacetyl)phenoxy]propyl]piperazin-2-one has a molecular weight of 1884.52 g/mol, XLogP of 12.79, 41 rotatable bonds, 1 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3,3-difluoropyrrolidin-1-yl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]ethanone;2-(2,6-dimethylpiperidin-1-yl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]ethanone;2-(2,5-dimethylpyrrolidin-1-yl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]ethanone;1-[4-[3-(4-methylsulfonylpiperazin-1-yl)propoxy]phenyl]-2-morpholin-4-ylethanone;4-[3-[4-(2-morpholin-4-ylacetyl)phenoxy]propyl]piperazin-2-one is sourced from PubChem (CID 157264691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).