2-[4-(benzenesulfonyl)piperazin-1-yl]-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]ethanone;2-(4-benzoylpiperazin-1-yl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]ethanone;1-[4-[3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]propoxy]phenyl]-2-morpholin-4-ylethanone;1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]ethanone;1-[3-[4-(2-morpholin-4-ylacetyl)phenoxy]propyl]pyrrolidin-2-one

C118H166N14O19S — CID 159555141

About 2-[4-(benzenesulfonyl)piperazin-1-yl]-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]ethanone;2-(4-benzoylpiperazin-1-yl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]ethanone;1-[4-[3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]propoxy]phenyl]-2-morpholin-4-ylethanone;1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]ethanone;1-[3-[4-(2-morpholin-4-ylacetyl)phenoxy]propyl]pyrrolidin-2-one

2-[4-(benzenesulfonyl)piperazin-1-yl]-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]ethanone;2-(4-benzoylpiperazin-1-yl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]ethanone;1-[4-[3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]propoxy]phenyl]-2-morpholin-4-ylethanone;1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]ethanone;1-[3-[4-(2-morpholin-4-ylacetyl)phenoxy]propyl]pyrrolidin-2-one (PubChem CID 159555141) has the molecular formula C118H166N14O19S and a molecular weight of 2116.77 g/mol. Its IUPAC name is 2-[4-(benzenesulfonyl)piperazin-1-yl]-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]ethanone;2-(4-benzoylpiperazin-1-yl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]ethanone;1-[4-[3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]propoxy]phenyl]-2-morpholin-4-ylethanone;1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]ethanone;1-[3-[4-(2-morpholin-4-ylacetyl)phenoxy]propyl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: 2-[4-(benzenesulfonyl)piperazin-1-yl]-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]ethanone;2-(4-benzoylpiperazin-1-yl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]ethanone;1-[4-[3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]propoxy]phenyl]-2-morpholin-4-ylethanone;1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]ethanone;1-[3-[4-(2-morpholin-4-ylacetyl)phenoxy]propyl]pyrrolidin-2-one
• PubChem CID: 159555141
• Molecular Formula: C118H166N14O19S
• Molecular Weight: 2116.77 g/mol
• Exact Mass: 2115.22
• IUPAC Name: 2-[4-(benzenesulfonyl)piperazin-1-yl]-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]ethanone;2-(4-benzoylpiperazin-1-yl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]ethanone;1-[4-[3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]propoxy]phenyl]-2-morpholin-4-ylethanone;1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]ethanone;1-[3-[4-(2-morpholin-4-ylacetyl)phenoxy]propyl]pyrrolidin-2-one
• SMILES: COC[C@H]1CCCN1CCCOc1ccc(C(=O)CN2CCOCC2)cc1.C[C@@H]1CCCN1CCCOc1ccc(C(=O)CN2CCN(C(=O)N3CCOCC3)CC2)cc1.C[C@@H]1CCCN1CCCOc1ccc(C(=O)CN2CCN(C(=O)c3ccccc3)CC2)cc1.C[C@@H]1CCCN1CCCOc1ccc(C(=O)CN2CCN(S(=O)(=O)c3ccccc3)CC2)cc1.O=C(CN1CCOCC1)c1ccc(OCCCN2CCCC2=O)cc1
• InChI: InChI=1S/C27H35N3O3.C26H35N3O4S.C25H38N4O4.C21H32N2O4.C19H26N2O4/c1-22-7-5-14-29(22)15-6-20-33-25-12-10-23(11-13-25)26(31)21-28-16-18-30(19-17-28)27(32)24-8-3-2-4-9-24;1-22-7-5-14-28(22)15-6-20-33-24-12-10-23(11-13-24)26(30)21-27-16-18-29(19-17-27)34(31,32)25-8-3-2-4-9-25;1-21-4-2-9-27(21)10-3-17-33-23-7-5-22(6-8-23)24(30)20-26-11-13-28(14-12-26)25(31)29-15-18-32-19-16-29;1-25-17-19-4-2-9-23(19)10-3-13-27-20-7-5-18(6-8-20)21(24)16-22-11-14-26-15-12-22;22-18(15-20-10-13-24-14-11-20)16-4-6-17(7-5-16)25-12-2-9-21-8-1-3-19(21)23/h2-4,8-13,22H,5-7,14-21H2,1H3;2-4,8-13,22H,5-7,14-21H2,1H3;5-8,21H,2-4,9-20H2,1H3;5-8,19H,2-4,9-17H2,1H3;4-7H,1-3,8-15H2/t2*22-;21-;19-;/m1111./s1
• InChIKey: MFWVHWXUAWJRCK-DDZICICLSA-N
• XLogP: 12.58
• TPSA: 299.13 Ų
• H-Bond Acceptors: 28
• Rotatable Bonds: 45
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2116.77
LogP ≤ 5	12.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-(benzenesulfonyl)piperazin-1-yl]-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]ethanone;2-(4-benzoylpiperazin-1-yl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]ethanone;1-[4-[3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]propoxy]phenyl]-2-morpholin-4-ylethanone;1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]ethanone;1-[3-[4-(2-morpholin-4-ylacetyl)phenoxy]propyl]pyrrolidin-2-one?

The IUPAC name of 2-[4-(benzenesulfonyl)piperazin-1-yl]-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]ethanone;2-(4-benzoylpiperazin-1-yl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]ethanone;1-[4-[3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]propoxy]phenyl]-2-morpholin-4-ylethanone;1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]ethanone;1-[3-[4-(2-morpholin-4-ylacetyl)phenoxy]propyl]pyrrolidin-2-one (CID 159555141) is 2-[4-(benzenesulfonyl)piperazin-1-yl]-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]ethanone;2-(4-benzoylpiperazin-1-yl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]ethanone;1-[4-[3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]propoxy]phenyl]-2-morpholin-4-ylethanone;1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]ethanone;1-[3-[4-(2-morpholin-4-ylacetyl)phenoxy]propyl]pyrrolidin-2-one.

What is the SMILES notation for 2-[4-(benzenesulfonyl)piperazin-1-yl]-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]ethanone;2-(4-benzoylpiperazin-1-yl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]ethanone;1-[4-[3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]propoxy]phenyl]-2-morpholin-4-ylethanone;1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]ethanone;1-[3-[4-(2-morpholin-4-ylacetyl)phenoxy]propyl]pyrrolidin-2-one?

The canonical SMILES for 2-[4-(benzenesulfonyl)piperazin-1-yl]-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]ethanone;2-(4-benzoylpiperazin-1-yl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]ethanone;1-[4-[3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]propoxy]phenyl]-2-morpholin-4-ylethanone;1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]ethanone;1-[3-[4-(2-morpholin-4-ylacetyl)phenoxy]propyl]pyrrolidin-2-one is COC[C@H]1CCCN1CCCOc1ccc(C(=O)CN2CCOCC2)cc1.C[C@@H]1CCCN1CCCOc1ccc(C(=O)CN2CCN(C(=O)N3CCOCC3)CC2)cc1.C[C@@H]1CCCN1CCCOc1ccc(C(=O)CN2CCN(C(=O)c3ccccc3)CC2)cc1.C[C@@H]1CCCN1CCCOc1ccc(C(=O)CN2CCN(S(=O)(=O)c3ccccc3)CC2)cc1.O=C(CN1CCOCC1)c1ccc(OCCCN2CCCC2=O)cc1.

What is the InChIKey of 2-[4-(benzenesulfonyl)piperazin-1-yl]-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]ethanone;2-(4-benzoylpiperazin-1-yl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]ethanone;1-[4-[3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]propoxy]phenyl]-2-morpholin-4-ylethanone;1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]ethanone;1-[3-[4-(2-morpholin-4-ylacetyl)phenoxy]propyl]pyrrolidin-2-one?

The InChIKey is MFWVHWXUAWJRCK-DDZICICLSA-N. The full InChI is InChI=1S/C27H35N3O3.C26H35N3O4S.C25H38N4O4.C21H32N2O4.C19H26N2O4/c1-22-7-5-14-29(22)15-6-20-33-25-12-10-23(11-13-25)26(31)21-28-16-18-30(19-17-28)27(32)24-8-3-2-4-9-24;1-22-7-5-14-28(22)15-6-20-33-24-12-10-23(11-13-24)26(30)21-27-16-18-29(19-17-27)34(31,32)25-8-3-2-4-9-25;1-21-4-2-9-27(21)10-3-17-33-23-7-5-22(6-8-23)24(30)20-26-11-13-28(14-12-26)25(31)29-15-18-32-19-16-29;1-25-17-19-4-2-9-23(19)10-3-13-27-20-7-5-18(6-8-20)21(24)16-22-11-14-26-15-12-22;22-18(15-20-10-13-24-14-11-20)16-4-6-17(7-5-16)25-12-2-9-21-8-1-3-19(21)23/h2-4,8-13,22H,5-7,14-21H2,1H3;2-4,8-13,22H,5-7,14-21H2,1H3;5-8,21H,2-4,9-20H2,1H3;5-8,19H,2-4,9-17H2,1H3;4-7H,1-3,8-15H2/t2*22-;21-;19-;/m1111./s1.

What are the key properties of 2-[4-(benzenesulfonyl)piperazin-1-yl]-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]ethanone;2-(4-benzoylpiperazin-1-yl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]ethanone;1-[4-[3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]propoxy]phenyl]-2-morpholin-4-ylethanone;1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]ethanone;1-[3-[4-(2-morpholin-4-ylacetyl)phenoxy]propyl]pyrrolidin-2-one?

2-[4-(benzenesulfonyl)piperazin-1-yl]-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]ethanone;2-(4-benzoylpiperazin-1-yl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]ethanone;1-[4-[3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]propoxy]phenyl]-2-morpholin-4-ylethanone;1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]ethanone;1-[3-[4-(2-morpholin-4-ylacetyl)phenoxy]propyl]pyrrolidin-2-one has a molecular weight of 2116.77 g/mol, XLogP of 12.58, 45 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(benzenesulfonyl)piperazin-1-yl]-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]ethanone;2-(4-benzoylpiperazin-1-yl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]ethanone;1-[4-[3-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]propoxy]phenyl]-2-morpholin-4-ylethanone;1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]ethanone;1-[3-[4-(2-morpholin-4-ylacetyl)phenoxy]propyl]pyrrolidin-2-one is sourced from PubChem (CID 159555141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).