N-[4-[(2S)-3-[4-(4-chlorophenyl)-2,6-dimethylpiperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide;N-[4-[(2R)-3-[4-(4-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide;(2S)-1-[4-(4-chlorophenyl)piperazin-1-yl]-3-[(7-methylidene-6,8-dihydro-5H-naphthalen-2-yl)oxy]propan-2-ol;N-[4-[(2R)-3-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide;1-[4-(3,4-difluorophenyl)piperazin-1-yl]-2-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)oxy]ethanone

C111H133Cl5F2N14O13 — CID 157300933

About N-[4-[(2S)-3-[4-(4-chlorophenyl)-2,6-dimethylpiperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide;N-[4-[(2R)-3-[4-(4-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide;(2S)-1-[4-(4-chlorophenyl)piperazin-1-yl]-3-[(7-methylidene-6,8-dihydro-5H-naphthalen-2-yl)oxy]propan-2-ol;N-[4-[(2R)-3-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide;1-[4-(3,4-difluorophenyl)piperazin-1-yl]-2-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)oxy]ethanone

N-[4-[(2S)-3-[4-(4-chlorophenyl)-2,6-dimethylpiperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide;N-[4-[(2R)-3-[4-(4-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide;(2S)-1-[4-(4-chlorophenyl)piperazin-1-yl]-3-[(7-methylidene-6,8-dihydro-5H-naphthalen-2-yl)oxy]propan-2-ol;N-[4-[(2R)-3-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide;1-[4-(3,4-difluorophenyl)piperazin-1-yl]-2-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)oxy]ethanone (PubChem CID 157300933) has the molecular formula C111H133Cl5F2N14O13 and a molecular weight of 2086.63 g/mol. Its IUPAC name is N-[4-[(2S)-3-[4-(4-chlorophenyl)-2,6-dimethylpiperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide;N-[4-[(2R)-3-[4-(4-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide;(2S)-1-[4-(4-chlorophenyl)piperazin-1-yl]-3-[(7-methylidene-6,8-dihydro-5H-naphthalen-2-yl)oxy]propan-2-ol;N-[4-[(2R)-3-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide;1-[4-(3,4-difluorophenyl)piperazin-1-yl]-2-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)oxy]ethanone.

Molecular Properties

• Compound Name: N-[4-[(2S)-3-[4-(4-chlorophenyl)-2,6-dimethylpiperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide;N-[4-[(2R)-3-[4-(4-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide;(2S)-1-[4-(4-chlorophenyl)piperazin-1-yl]-3-[(7-methylidene-6,8-dihydro-5H-naphthalen-2-yl)oxy]propan-2-ol;N-[4-[(2R)-3-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide;1-[4-(3,4-difluorophenyl)piperazin-1-yl]-2-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)oxy]ethanone
• PubChem CID: 157300933
• Molecular Formula: C111H133Cl5F2N14O13
• Molecular Weight: 2086.63 g/mol
• Exact Mass: 2082.86
• IUPAC Name: N-[4-[(2S)-3-[4-(4-chlorophenyl)-2,6-dimethylpiperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide;N-[4-[(2R)-3-[4-(4-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide;(2S)-1-[4-(4-chlorophenyl)piperazin-1-yl]-3-[(7-methylidene-6,8-dihydro-5H-naphthalen-2-yl)oxy]propan-2-ol;N-[4-[(2R)-3-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide;1-[4-(3,4-difluorophenyl)piperazin-1-yl]-2-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)oxy]ethanone
• SMILES: C=C1CCc2ccc(OCC(=O)N3CCN(c4ccc(F)c(F)c4)CC3)cc2N1.C=C1CCc2ccc(OC[C@@H](O)CN3CCN(c4ccc(Cl)cc4)CC3)cc2C1.CC(=O)Nc1ccc(OC[C@@H](O)CN2C(C)CN(c3ccc(Cl)cc3)CC2C)cc1.CC(=O)Nc1ccc(OC[C@H](O)CN2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1.CC(=O)Nc1ccc(OC[C@H](O)CN2CCN(c3ccc(Cl)cc3)CC2)cc1
• InChI: InChI=1S/C24H29ClN2O2.C23H30ClN3O3.C22H23F2N3O2.C21H25Cl2N3O3.C21H26ClN3O3/c1-18-2-3-19-4-9-24(15-20(19)14-18)29-17-23(28)16-26-10-12-27(13-11-26)22-7-5-21(25)6-8-22;1-16-12-26(21-8-4-19(24)5-9-21)13-17(2)27(16)14-22(29)15-30-23-10-6-20(7-11-23)25-18(3)28;1-15-2-3-16-4-6-18(13-21(16)25-15)29-14-22(28)27-10-8-26(9-11-27)17-5-7-19(23)20(24)12-17;1-15(27)24-16-2-5-19(6-3-16)29-14-18(28)13-25-8-10-26(11-9-25)17-4-7-20(22)21(23)12-17;1-16(26)23-18-4-8-21(9-5-18)28-15-20(27)14-24-10-12-25(13-11-24)19-6-2-17(22)3-7-19/h4-9,15,23,28H,1-3,10-14,16-17H2;4-11,16-17,22,29H,12-15H2,1-3H3,(H,25,28);4-7,12-13,25H,1-3,8-11,14H2;2-7,12,18,28H,8-11,13-14H2,1H3,(H,24,27);2-9,20,27H,10-15H2,1H3,(H,23,26)/t23-;16?,17?,22-;;18-;20-/m00.11/s1
• InChIKey: BBWUBGPZRUHPKX-QSEVAMRXSA-N
• XLogP: 17.52
• TPSA: 275.87 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 23
• Rotatable Bonds: 31
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2086.63
LogP ≤ 5	17.52
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2S)-3-[4-(4-chlorophenyl)-2,6-dimethylpiperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide;N-[4-[(2R)-3-[4-(4-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide;(2S)-1-[4-(4-chlorophenyl)piperazin-1-yl]-3-[(7-methylidene-6,8-dihydro-5H-naphthalen-2-yl)oxy]propan-2-ol;N-[4-[(2R)-3-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide;1-[4-(3,4-difluorophenyl)piperazin-1-yl]-2-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)oxy]ethanone?

The IUPAC name of N-[4-[(2S)-3-[4-(4-chlorophenyl)-2,6-dimethylpiperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide;N-[4-[(2R)-3-[4-(4-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide;(2S)-1-[4-(4-chlorophenyl)piperazin-1-yl]-3-[(7-methylidene-6,8-dihydro-5H-naphthalen-2-yl)oxy]propan-2-ol;N-[4-[(2R)-3-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide;1-[4-(3,4-difluorophenyl)piperazin-1-yl]-2-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)oxy]ethanone (CID 157300933) is N-[4-[(2S)-3-[4-(4-chlorophenyl)-2,6-dimethylpiperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide;N-[4-[(2R)-3-[4-(4-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide;(2S)-1-[4-(4-chlorophenyl)piperazin-1-yl]-3-[(7-methylidene-6,8-dihydro-5H-naphthalen-2-yl)oxy]propan-2-ol;N-[4-[(2R)-3-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide;1-[4-(3,4-difluorophenyl)piperazin-1-yl]-2-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)oxy]ethanone.

What is the SMILES notation for N-[4-[(2S)-3-[4-(4-chlorophenyl)-2,6-dimethylpiperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide;N-[4-[(2R)-3-[4-(4-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide;(2S)-1-[4-(4-chlorophenyl)piperazin-1-yl]-3-[(7-methylidene-6,8-dihydro-5H-naphthalen-2-yl)oxy]propan-2-ol;N-[4-[(2R)-3-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide;1-[4-(3,4-difluorophenyl)piperazin-1-yl]-2-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)oxy]ethanone?

The canonical SMILES for N-[4-[(2S)-3-[4-(4-chlorophenyl)-2,6-dimethylpiperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide;N-[4-[(2R)-3-[4-(4-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide;(2S)-1-[4-(4-chlorophenyl)piperazin-1-yl]-3-[(7-methylidene-6,8-dihydro-5H-naphthalen-2-yl)oxy]propan-2-ol;N-[4-[(2R)-3-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide;1-[4-(3,4-difluorophenyl)piperazin-1-yl]-2-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)oxy]ethanone is C=C1CCc2ccc(OCC(=O)N3CCN(c4ccc(F)c(F)c4)CC3)cc2N1.C=C1CCc2ccc(OC[C@@H](O)CN3CCN(c4ccc(Cl)cc4)CC3)cc2C1.CC(=O)Nc1ccc(OC[C@@H](O)CN2C(C)CN(c3ccc(Cl)cc3)CC2C)cc1.CC(=O)Nc1ccc(OC[C@H](O)CN2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1.CC(=O)Nc1ccc(OC[C@H](O)CN2CCN(c3ccc(Cl)cc3)CC2)cc1.

What is the InChIKey of N-[4-[(2S)-3-[4-(4-chlorophenyl)-2,6-dimethylpiperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide;N-[4-[(2R)-3-[4-(4-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide;(2S)-1-[4-(4-chlorophenyl)piperazin-1-yl]-3-[(7-methylidene-6,8-dihydro-5H-naphthalen-2-yl)oxy]propan-2-ol;N-[4-[(2R)-3-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide;1-[4-(3,4-difluorophenyl)piperazin-1-yl]-2-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)oxy]ethanone?

The InChIKey is BBWUBGPZRUHPKX-QSEVAMRXSA-N. The full InChI is InChI=1S/C24H29ClN2O2.C23H30ClN3O3.C22H23F2N3O2.C21H25Cl2N3O3.C21H26ClN3O3/c1-18-2-3-19-4-9-24(15-20(19)14-18)29-17-23(28)16-26-10-12-27(13-11-26)22-7-5-21(25)6-8-22;1-16-12-26(21-8-4-19(24)5-9-21)13-17(2)27(16)14-22(29)15-30-23-10-6-20(7-11-23)25-18(3)28;1-15-2-3-16-4-6-18(13-21(16)25-15)29-14-22(28)27-10-8-26(9-11-27)17-5-7-19(23)20(24)12-17;1-15(27)24-16-2-5-19(6-3-16)29-14-18(28)13-25-8-10-26(11-9-25)17-4-7-20(22)21(23)12-17;1-16(26)23-18-4-8-21(9-5-18)28-15-20(27)14-24-10-12-25(13-11-24)19-6-2-17(22)3-7-19/h4-9,15,23,28H,1-3,10-14,16-17H2;4-11,16-17,22,29H,12-15H2,1-3H3,(H,25,28);4-7,12-13,25H,1-3,8-11,14H2;2-7,12,18,28H,8-11,13-14H2,1H3,(H,24,27);2-9,20,27H,10-15H2,1H3,(H,23,26)/t23-;16?,17?,22-;;18-;20-/m00.11/s1.

What are the key properties of N-[4-[(2S)-3-[4-(4-chlorophenyl)-2,6-dimethylpiperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide;N-[4-[(2R)-3-[4-(4-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide;(2S)-1-[4-(4-chlorophenyl)piperazin-1-yl]-3-[(7-methylidene-6,8-dihydro-5H-naphthalen-2-yl)oxy]propan-2-ol;N-[4-[(2R)-3-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide;1-[4-(3,4-difluorophenyl)piperazin-1-yl]-2-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)oxy]ethanone?

N-[4-[(2S)-3-[4-(4-chlorophenyl)-2,6-dimethylpiperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide;N-[4-[(2R)-3-[4-(4-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide;(2S)-1-[4-(4-chlorophenyl)piperazin-1-yl]-3-[(7-methylidene-6,8-dihydro-5H-naphthalen-2-yl)oxy]propan-2-ol;N-[4-[(2R)-3-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide;1-[4-(3,4-difluorophenyl)piperazin-1-yl]-2-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)oxy]ethanone has a molecular weight of 2086.63 g/mol, XLogP of 17.52, 31 rotatable bonds, 8 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(2S)-3-[4-(4-chlorophenyl)-2,6-dimethylpiperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide;N-[4-[(2R)-3-[4-(4-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide;(2S)-1-[4-(4-chlorophenyl)piperazin-1-yl]-3-[(7-methylidene-6,8-dihydro-5H-naphthalen-2-yl)oxy]propan-2-ol;N-[4-[(2R)-3-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide;1-[4-(3,4-difluorophenyl)piperazin-1-yl]-2-[(2-methylidene-3,4-dihydro-1H-quinolin-7-yl)oxy]ethanone is sourced from PubChem (CID 157300933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).