2-(1,3-dihydroisoindol-2-yl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]ethanone;1-[4-[3-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]propoxy]phenyl]-2-morpholin-4-ylethanone;1-[2-methyl-4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-morpholin-4-ylethanone;1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]ethanone

C91H132N10O12 — CID 160681069

About 2-(1,3-dihydroisoindol-2-yl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]ethanone;1-[4-[3-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]propoxy]phenyl]-2-morpholin-4-ylethanone;1-[2-methyl-4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-morpholin-4-ylethanone;1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]ethanone

2-(1,3-dihydroisoindol-2-yl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]ethanone;1-[4-[3-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]propoxy]phenyl]-2-morpholin-4-ylethanone;1-[2-methyl-4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-morpholin-4-ylethanone;1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]ethanone (PubChem CID 160681069) has the molecular formula C91H132N10O12 and a molecular weight of 1558.11 g/mol. Its IUPAC name is 2-(1,3-dihydroisoindol-2-yl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]ethanone;1-[4-[3-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]propoxy]phenyl]-2-morpholin-4-ylethanone;1-[2-methyl-4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-morpholin-4-ylethanone;1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-(1,3-dihydroisoindol-2-yl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]ethanone;1-[4-[3-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]propoxy]phenyl]-2-morpholin-4-ylethanone;1-[2-methyl-4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-morpholin-4-ylethanone;1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]ethanone
• PubChem CID: 160681069
• Molecular Formula: C91H132N10O12
• Molecular Weight: 1558.11 g/mol
• Exact Mass: 1557.00
• IUPAC Name: 2-(1,3-dihydroisoindol-2-yl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]ethanone;1-[4-[3-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]propoxy]phenyl]-2-morpholin-4-ylethanone;1-[2-methyl-4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-morpholin-4-ylethanone;1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]ethanone
• SMILES: COC[C@@H]1CCCN1CCCOc1ccc(C(=O)CN2CCOCC2)cc1.C[C@@H]1CCCN1CCCOc1ccc(C(=O)CN2CCN(C(=O)N3CCCC3)CC2)cc1.C[C@@H]1CCCN1CCCOc1ccc(C(=O)CN2Cc3ccccc3C2)cc1.Cc1cc(OCCCN2CCC[C@H]2C)ccc1C(=O)CN1CCOCC1
• InChI: InChI=1S/C25H38N4O3.C24H30N2O2.C21H32N2O4.C21H32N2O3/c1-21-6-4-13-27(21)14-5-19-32-23-9-7-22(8-10-23)24(30)20-26-15-17-29(18-16-26)25(31)28-11-2-3-12-28;1-19-6-4-13-26(19)14-5-15-28-23-11-9-20(10-12-23)24(27)18-25-16-21-7-2-3-8-22(21)17-25;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;1-17-15-19(26-12-4-9-23-8-3-5-18(23)2)6-7-20(17)21(24)16-22-10-13-25-14-11-22/h7-10,21H,2-6,11-20H2,1H3;2-3,7-12,19H,4-6,13-18H2,1H3;5-8,19H,2-4,9-17H2,1H3;6-7,15,18H,3-5,8-14,16H2,1-2H3/t21-;2*19-;18-/m1101/s1
• InChIKey: RODOGWUPZIAXGM-XBGNYWNYSA-N
• XLogP: 11.94
• TPSA: 182.36 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 34
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1558.11
LogP ≤ 5	11.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dihydroisoindol-2-yl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]ethanone;1-[4-[3-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]propoxy]phenyl]-2-morpholin-4-ylethanone;1-[2-methyl-4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-morpholin-4-ylethanone;1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]ethanone?

The IUPAC name of 2-(1,3-dihydroisoindol-2-yl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]ethanone;1-[4-[3-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]propoxy]phenyl]-2-morpholin-4-ylethanone;1-[2-methyl-4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-morpholin-4-ylethanone;1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]ethanone (CID 160681069) is 2-(1,3-dihydroisoindol-2-yl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]ethanone;1-[4-[3-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]propoxy]phenyl]-2-morpholin-4-ylethanone;1-[2-methyl-4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-morpholin-4-ylethanone;1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]ethanone.

What is the SMILES notation for 2-(1,3-dihydroisoindol-2-yl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]ethanone;1-[4-[3-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]propoxy]phenyl]-2-morpholin-4-ylethanone;1-[2-methyl-4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-morpholin-4-ylethanone;1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]ethanone?

The canonical SMILES for 2-(1,3-dihydroisoindol-2-yl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]ethanone;1-[4-[3-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]propoxy]phenyl]-2-morpholin-4-ylethanone;1-[2-methyl-4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-morpholin-4-ylethanone;1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]ethanone is COC[C@@H]1CCCN1CCCOc1ccc(C(=O)CN2CCOCC2)cc1.C[C@@H]1CCCN1CCCOc1ccc(C(=O)CN2CCN(C(=O)N3CCCC3)CC2)cc1.C[C@@H]1CCCN1CCCOc1ccc(C(=O)CN2Cc3ccccc3C2)cc1.Cc1cc(OCCCN2CCC[C@H]2C)ccc1C(=O)CN1CCOCC1.

What is the InChIKey of 2-(1,3-dihydroisoindol-2-yl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]ethanone;1-[4-[3-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]propoxy]phenyl]-2-morpholin-4-ylethanone;1-[2-methyl-4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-morpholin-4-ylethanone;1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]ethanone?

The InChIKey is RODOGWUPZIAXGM-XBGNYWNYSA-N. The full InChI is InChI=1S/C25H38N4O3.C24H30N2O2.C21H32N2O4.C21H32N2O3/c1-21-6-4-13-27(21)14-5-19-32-23-9-7-22(8-10-23)24(30)20-26-15-17-29(18-16-26)25(31)28-11-2-3-12-28;1-19-6-4-13-26(19)14-5-15-28-23-11-9-20(10-12-23)24(27)18-25-16-21-7-2-3-8-22(21)17-25;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;1-17-15-19(26-12-4-9-23-8-3-5-18(23)2)6-7-20(17)21(24)16-22-10-13-25-14-11-22/h7-10,21H,2-6,11-20H2,1H3;2-3,7-12,19H,4-6,13-18H2,1H3;5-8,19H,2-4,9-17H2,1H3;6-7,15,18H,3-5,8-14,16H2,1-2H3/t21-;2*19-;18-/m1101/s1.

What are the key properties of 2-(1,3-dihydroisoindol-2-yl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]ethanone;1-[4-[3-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]propoxy]phenyl]-2-morpholin-4-ylethanone;1-[2-methyl-4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-morpholin-4-ylethanone;1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]ethanone?

2-(1,3-dihydroisoindol-2-yl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]ethanone;1-[4-[3-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]propoxy]phenyl]-2-morpholin-4-ylethanone;1-[2-methyl-4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-morpholin-4-ylethanone;1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 1558.11 g/mol, XLogP of 11.94, 34 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1,3-dihydroisoindol-2-yl)-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]ethanone;1-[4-[3-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]propoxy]phenyl]-2-morpholin-4-ylethanone;1-[2-methyl-4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-morpholin-4-ylethanone;1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-[4-(pyrrolidine-1-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 160681069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).