dodecyl 3-[(3-dodecoxy-3-oxopropyl)-(4-methylpiperazin-1-yl)amino]propanoate;dodecyl 3-[(4-methylpiperazin-1-yl)amino]propanoate;hexadecyl 3-[(3-hexadecoxy-3-oxopropyl)-(4-methylpiperazin-1-yl)amino]propanoate;hexadecyl 3-[(4-methylpiperazin-1-yl)amino]propanoate;hexyl 3-[(3-hexoxy-3-oxopropyl)-(4-methylpiperazin-1-yl)amino]propanoate;hexyl 3-[(4-methylpiperazin-1-yl)amino]propanoate;tetradecyl 3-[(4-methylpiperazin-1-yl)amino]propanoate;tetradecyl 3-[(4-methylpiperazin-1-yl)-(3-oxo-3-tetradecoxypropyl)amino]propanoate

C220H440N24O24 — CID 160903118

About dodecyl 3-[(3-dodecoxy-3-oxopropyl)-(4-methylpiperazin-1-yl)amino]propanoate;dodecyl 3-[(4-methylpiperazin-1-yl)amino]propanoate;hexadecyl 3-[(3-hexadecoxy-3-oxopropyl)-(4-methylpiperazin-1-yl)amino]propanoate;hexadecyl 3-[(4-methylpiperazin-1-yl)amino]propanoate;hexyl 3-[(3-hexoxy-3-oxopropyl)-(4-methylpiperazin-1-yl)amino]propanoate;hexyl 3-[(4-methylpiperazin-1-yl)amino]propanoate;tetradecyl 3-[(4-methylpiperazin-1-yl)amino]propanoate;tetradecyl 3-[(4-methylpiperazin-1-yl)-(3-oxo-3-tetradecoxypropyl)amino]propanoate

dodecyl 3-[(3-dodecoxy-3-oxopropyl)-(4-methylpiperazin-1-yl)amino]propanoate;dodecyl 3-[(4-methylpiperazin-1-yl)amino]propanoate;hexadecyl 3-[(3-hexadecoxy-3-oxopropyl)-(4-methylpiperazin-1-yl)amino]propanoate;hexadecyl 3-[(4-methylpiperazin-1-yl)amino]propanoate;hexyl 3-[(3-hexoxy-3-oxopropyl)-(4-methylpiperazin-1-yl)amino]propanoate;hexyl 3-[(4-methylpiperazin-1-yl)amino]propanoate;tetradecyl 3-[(4-methylpiperazin-1-yl)amino]propanoate;tetradecyl 3-[(4-methylpiperazin-1-yl)-(3-oxo-3-tetradecoxypropyl)amino]propanoate (PubChem CID 160903118) has the molecular formula C220H440N24O24 and a molecular weight of 3806.08 g/mol. Its IUPAC name is dodecyl 3-[(3-dodecoxy-3-oxopropyl)-(4-methylpiperazin-1-yl)amino]propanoate;dodecyl 3-[(4-methylpiperazin-1-yl)amino]propanoate;hexadecyl 3-[(3-hexadecoxy-3-oxopropyl)-(4-methylpiperazin-1-yl)amino]propanoate;hexadecyl 3-[(4-methylpiperazin-1-yl)amino]propanoate;hexyl 3-[(3-hexoxy-3-oxopropyl)-(4-methylpiperazin-1-yl)amino]propanoate;hexyl 3-[(4-methylpiperazin-1-yl)amino]propanoate;tetradecyl 3-[(4-methylpiperazin-1-yl)amino]propanoate;tetradecyl 3-[(4-methylpiperazin-1-yl)-(3-oxo-3-tetradecoxypropyl)amino]propanoate.

Molecular Properties

• Compound Name: dodecyl 3-[(3-dodecoxy-3-oxopropyl)-(4-methylpiperazin-1-yl)amino]propanoate;dodecyl 3-[(4-methylpiperazin-1-yl)amino]propanoate;hexadecyl 3-[(3-hexadecoxy-3-oxopropyl)-(4-methylpiperazin-1-yl)amino]propanoate;hexadecyl 3-[(4-methylpiperazin-1-yl)amino]propanoate;hexyl 3-[(3-hexoxy-3-oxopropyl)-(4-methylpiperazin-1-yl)amino]propanoate;hexyl 3-[(4-methylpiperazin-1-yl)amino]propanoate;tetradecyl 3-[(4-methylpiperazin-1-yl)amino]propanoate;tetradecyl 3-[(4-methylpiperazin-1-yl)-(3-oxo-3-tetradecoxypropyl)amino]propanoate
• PubChem CID: 160903118
• Molecular Formula: C220H440N24O24
• Molecular Weight: 3806.08 g/mol
• Exact Mass: 3803.39
• IUPAC Name: dodecyl 3-[(3-dodecoxy-3-oxopropyl)-(4-methylpiperazin-1-yl)amino]propanoate;dodecyl 3-[(4-methylpiperazin-1-yl)amino]propanoate;hexadecyl 3-[(3-hexadecoxy-3-oxopropyl)-(4-methylpiperazin-1-yl)amino]propanoate;hexadecyl 3-[(4-methylpiperazin-1-yl)amino]propanoate;hexyl 3-[(3-hexoxy-3-oxopropyl)-(4-methylpiperazin-1-yl)amino]propanoate;hexyl 3-[(4-methylpiperazin-1-yl)amino]propanoate;tetradecyl 3-[(4-methylpiperazin-1-yl)amino]propanoate;tetradecyl 3-[(4-methylpiperazin-1-yl)-(3-oxo-3-tetradecoxypropyl)amino]propanoate
• SMILES: CCCCCCCCCCCCCCCCOC(=O)CCN(CCC(=O)OCCCCCCCCCCCCCCCC)N1CCN(C)CC1.CCCCCCCCCCCCCCCCOC(=O)CCNN1CCN(C)CC1.CCCCCCCCCCCCCCOC(=O)CCN(CCC(=O)OCCCCCCCCCCCCCC)N1CCN(C)CC1.CCCCCCCCCCCCCCOC(=O)CCNN1CCN(C)CC1.CCCCCCCCCCCCOC(=O)CCN(CCC(=O)OCCCCCCCCCCCC)N1CCN(C)CC1.CCCCCCCCCCCCOC(=O)CCNN1CCN(C)CC1.CCCCCCOC(=O)CCN(CCC(=O)OCCCCCC)N1CCN(C)CC1.CCCCCCOC(=O)CCNN1CCN(C)CC1
• InChI: InChI=1S/C43H85N3O4.C39H77N3O4.C35H69N3O4.C24H49N3O2.C23H45N3O4.C22H45N3O2.C20H41N3O2.C14H29N3O2/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-40-49-42(47)32-34-45(46-38-36-44(3)37-39-46)35-33-43(48)50-41-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;1-4-6-8-10-12-14-16-18-20-22-24-26-36-45-38(43)28-30-41(42-34-32-40(3)33-35-42)31-29-39(44)46-37-27-25-23-21-19-17-15-13-11-9-7-5-2;1-4-6-8-10-12-14-16-18-20-22-32-41-34(39)24-26-37(38-30-28-36(3)29-31-38)27-25-35(40)42-33-23-21-19-17-15-13-11-9-7-5-2;1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-29-24(28)17-18-25-27-21-19-26(2)20-22-27;1-4-6-8-10-20-29-22(27)12-14-25(26-18-16-24(3)17-19-26)15-13-23(28)30-21-11-9-7-5-2;1-3-4-5-6-7-8-9-10-11-12-13-14-21-27-22(26)15-16-23-25-19-17-24(2)18-20-25;1-3-4-5-6-7-8-9-10-11-12-19-25-20(24)13-14-21-23-17-15-22(2)16-18-23;1-3-4-5-6-13-19-14(18)7-8-15-17-11-9-16(2)10-12-17/h4-41H2,1-3H3;4-37H2,1-3H3;4-33H2,1-3H3;25H,3-23H2,1-2H3;4-21H2,1-3H3;23H,3-21H2,1-2H3;21H,3-19H2,1-2H3;15H,3-13H2,1-2H3
• InChIKey: SPTVXBIEERWJDU-UHFFFAOYSA-N
• XLogP: 47.01
• TPSA: 428.52 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 48
• Rotatable Bonds: 176
• Heavy Atoms: 268
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3806.08
LogP ≤ 5	47.01
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	48

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dodecyl 3-[(3-dodecoxy-3-oxopropyl)-(4-methylpiperazin-1-yl)amino]propanoate;dodecyl 3-[(4-methylpiperazin-1-yl)amino]propanoate;hexadecyl 3-[(3-hexadecoxy-3-oxopropyl)-(4-methylpiperazin-1-yl)amino]propanoate;hexadecyl 3-[(4-methylpiperazin-1-yl)amino]propanoate;hexyl 3-[(3-hexoxy-3-oxopropyl)-(4-methylpiperazin-1-yl)amino]propanoate;hexyl 3-[(4-methylpiperazin-1-yl)amino]propanoate;tetradecyl 3-[(4-methylpiperazin-1-yl)amino]propanoate;tetradecyl 3-[(4-methylpiperazin-1-yl)-(3-oxo-3-tetradecoxypropyl)amino]propanoate?

The IUPAC name of dodecyl 3-[(3-dodecoxy-3-oxopropyl)-(4-methylpiperazin-1-yl)amino]propanoate;dodecyl 3-[(4-methylpiperazin-1-yl)amino]propanoate;hexadecyl 3-[(3-hexadecoxy-3-oxopropyl)-(4-methylpiperazin-1-yl)amino]propanoate;hexadecyl 3-[(4-methylpiperazin-1-yl)amino]propanoate;hexyl 3-[(3-hexoxy-3-oxopropyl)-(4-methylpiperazin-1-yl)amino]propanoate;hexyl 3-[(4-methylpiperazin-1-yl)amino]propanoate;tetradecyl 3-[(4-methylpiperazin-1-yl)amino]propanoate;tetradecyl 3-[(4-methylpiperazin-1-yl)-(3-oxo-3-tetradecoxypropyl)amino]propanoate (CID 160903118) is dodecyl 3-[(3-dodecoxy-3-oxopropyl)-(4-methylpiperazin-1-yl)amino]propanoate;dodecyl 3-[(4-methylpiperazin-1-yl)amino]propanoate;hexadecyl 3-[(3-hexadecoxy-3-oxopropyl)-(4-methylpiperazin-1-yl)amino]propanoate;hexadecyl 3-[(4-methylpiperazin-1-yl)amino]propanoate;hexyl 3-[(3-hexoxy-3-oxopropyl)-(4-methylpiperazin-1-yl)amino]propanoate;hexyl 3-[(4-methylpiperazin-1-yl)amino]propanoate;tetradecyl 3-[(4-methylpiperazin-1-yl)amino]propanoate;tetradecyl 3-[(4-methylpiperazin-1-yl)-(3-oxo-3-tetradecoxypropyl)amino]propanoate.

What is the SMILES notation for dodecyl 3-[(3-dodecoxy-3-oxopropyl)-(4-methylpiperazin-1-yl)amino]propanoate;dodecyl 3-[(4-methylpiperazin-1-yl)amino]propanoate;hexadecyl 3-[(3-hexadecoxy-3-oxopropyl)-(4-methylpiperazin-1-yl)amino]propanoate;hexadecyl 3-[(4-methylpiperazin-1-yl)amino]propanoate;hexyl 3-[(3-hexoxy-3-oxopropyl)-(4-methylpiperazin-1-yl)amino]propanoate;hexyl 3-[(4-methylpiperazin-1-yl)amino]propanoate;tetradecyl 3-[(4-methylpiperazin-1-yl)amino]propanoate;tetradecyl 3-[(4-methylpiperazin-1-yl)-(3-oxo-3-tetradecoxypropyl)amino]propanoate?

The canonical SMILES for dodecyl 3-[(3-dodecoxy-3-oxopropyl)-(4-methylpiperazin-1-yl)amino]propanoate;dodecyl 3-[(4-methylpiperazin-1-yl)amino]propanoate;hexadecyl 3-[(3-hexadecoxy-3-oxopropyl)-(4-methylpiperazin-1-yl)amino]propanoate;hexadecyl 3-[(4-methylpiperazin-1-yl)amino]propanoate;hexyl 3-[(3-hexoxy-3-oxopropyl)-(4-methylpiperazin-1-yl)amino]propanoate;hexyl 3-[(4-methylpiperazin-1-yl)amino]propanoate;tetradecyl 3-[(4-methylpiperazin-1-yl)amino]propanoate;tetradecyl 3-[(4-methylpiperazin-1-yl)-(3-oxo-3-tetradecoxypropyl)amino]propanoate is CCCCCCCCCCCCCCCCOC(=O)CCN(CCC(=O)OCCCCCCCCCCCCCCCC)N1CCN(C)CC1.CCCCCCCCCCCCCCCCOC(=O)CCNN1CCN(C)CC1.CCCCCCCCCCCCCCOC(=O)CCN(CCC(=O)OCCCCCCCCCCCCCC)N1CCN(C)CC1.CCCCCCCCCCCCCCOC(=O)CCNN1CCN(C)CC1.CCCCCCCCCCCCOC(=O)CCN(CCC(=O)OCCCCCCCCCCCC)N1CCN(C)CC1.CCCCCCCCCCCCOC(=O)CCNN1CCN(C)CC1.CCCCCCOC(=O)CCN(CCC(=O)OCCCCCC)N1CCN(C)CC1.CCCCCCOC(=O)CCNN1CCN(C)CC1.

What is the InChIKey of dodecyl 3-[(3-dodecoxy-3-oxopropyl)-(4-methylpiperazin-1-yl)amino]propanoate;dodecyl 3-[(4-methylpiperazin-1-yl)amino]propanoate;hexadecyl 3-[(3-hexadecoxy-3-oxopropyl)-(4-methylpiperazin-1-yl)amino]propanoate;hexadecyl 3-[(4-methylpiperazin-1-yl)amino]propanoate;hexyl 3-[(3-hexoxy-3-oxopropyl)-(4-methylpiperazin-1-yl)amino]propanoate;hexyl 3-[(4-methylpiperazin-1-yl)amino]propanoate;tetradecyl 3-[(4-methylpiperazin-1-yl)amino]propanoate;tetradecyl 3-[(4-methylpiperazin-1-yl)-(3-oxo-3-tetradecoxypropyl)amino]propanoate?

The InChIKey is SPTVXBIEERWJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H85N3O4.C39H77N3O4.C35H69N3O4.C24H49N3O2.C23H45N3O4.C22H45N3O2.C20H41N3O2.C14H29N3O2/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-40-49-42(47)32-34-45(46-38-36-44(3)37-39-46)35-33-43(48)50-41-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;1-4-6-8-10-12-14-16-18-20-22-24-26-36-45-38(43)28-30-41(42-34-32-40(3)33-35-42)31-29-39(44)46-37-27-25-23-21-19-17-15-13-11-9-7-5-2;1-4-6-8-10-12-14-16-18-20-22-32-41-34(39)24-26-37(38-30-28-36(3)29-31-38)27-25-35(40)42-33-23-21-19-17-15-13-11-9-7-5-2;1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-29-24(28)17-18-25-27-21-19-26(2)20-22-27;1-4-6-8-10-20-29-22(27)12-14-25(26-18-16-24(3)17-19-26)15-13-23(28)30-21-11-9-7-5-2;1-3-4-5-6-7-8-9-10-11-12-13-14-21-27-22(26)15-16-23-25-19-17-24(2)18-20-25;1-3-4-5-6-7-8-9-10-11-12-19-25-20(24)13-14-21-23-17-15-22(2)16-18-23;1-3-4-5-6-13-19-14(18)7-8-15-17-11-9-16(2)10-12-17/h4-41H2,1-3H3;4-37H2,1-3H3;4-33H2,1-3H3;25H,3-23H2,1-2H3;4-21H2,1-3H3;23H,3-21H2,1-2H3;21H,3-19H2,1-2H3;15H,3-13H2,1-2H3.

What are the key properties of dodecyl 3-[(3-dodecoxy-3-oxopropyl)-(4-methylpiperazin-1-yl)amino]propanoate;dodecyl 3-[(4-methylpiperazin-1-yl)amino]propanoate;hexadecyl 3-[(3-hexadecoxy-3-oxopropyl)-(4-methylpiperazin-1-yl)amino]propanoate;hexadecyl 3-[(4-methylpiperazin-1-yl)amino]propanoate;hexyl 3-[(3-hexoxy-3-oxopropyl)-(4-methylpiperazin-1-yl)amino]propanoate;hexyl 3-[(4-methylpiperazin-1-yl)amino]propanoate;tetradecyl 3-[(4-methylpiperazin-1-yl)amino]propanoate;tetradecyl 3-[(4-methylpiperazin-1-yl)-(3-oxo-3-tetradecoxypropyl)amino]propanoate?

dodecyl 3-[(3-dodecoxy-3-oxopropyl)-(4-methylpiperazin-1-yl)amino]propanoate;dodecyl 3-[(4-methylpiperazin-1-yl)amino]propanoate;hexadecyl 3-[(3-hexadecoxy-3-oxopropyl)-(4-methylpiperazin-1-yl)amino]propanoate;hexadecyl 3-[(4-methylpiperazin-1-yl)amino]propanoate;hexyl 3-[(3-hexoxy-3-oxopropyl)-(4-methylpiperazin-1-yl)amino]propanoate;hexyl 3-[(4-methylpiperazin-1-yl)amino]propanoate;tetradecyl 3-[(4-methylpiperazin-1-yl)amino]propanoate;tetradecyl 3-[(4-methylpiperazin-1-yl)-(3-oxo-3-tetradecoxypropyl)amino]propanoate has a molecular weight of 3806.08 g/mol, XLogP of 47.01, 176 rotatable bonds, 4 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for dodecyl 3-[(3-dodecoxy-3-oxopropyl)-(4-methylpiperazin-1-yl)amino]propanoate;dodecyl 3-[(4-methylpiperazin-1-yl)amino]propanoate;hexadecyl 3-[(3-hexadecoxy-3-oxopropyl)-(4-methylpiperazin-1-yl)amino]propanoate;hexadecyl 3-[(4-methylpiperazin-1-yl)amino]propanoate;hexyl 3-[(3-hexoxy-3-oxopropyl)-(4-methylpiperazin-1-yl)amino]propanoate;hexyl 3-[(4-methylpiperazin-1-yl)amino]propanoate;tetradecyl 3-[(4-methylpiperazin-1-yl)amino]propanoate;tetradecyl 3-[(4-methylpiperazin-1-yl)-(3-oxo-3-tetradecoxypropyl)amino]propanoate is sourced from PubChem (CID 160903118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).