[2-(diethylamino)-2-oxoethyl] 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate;3-(dimethylamino)propyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate;3-morpholin-4-ylpropyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate;2-(2-oxopiperidin-1-yl)ethyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate;(2-oxo-2-piperidin-1-ylethyl) 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate;3-piperidin-1-ylpropyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate

C112H210N24O16 — CID 158152735

IUPAC[2-(diethylamino)-2-oxoethyl] 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate;3-(dimethylamino)propyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate;3-morpholin-4-ylpropyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate;2-(2-oxopiperidin-1-yl)ethyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate;(2-oxo-2-piperidin-1-ylethyl) 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate;3-piperidin-1-ylpropyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate
SMILESCCN(CC)C(=O)COC(=O)CN1CCC(N2CCN(C)CC2)CC1.CN(C)CCCOC(=O)CN1CCC(N2CCN(C)CC2)CC1.CN1CCN(C2CCN(CC(=O)OCC(=O)N3CCCCC3)CC2)CC1.CN1CCN(C2CCN(CC(=O)OCCCN3CCCCC3)CC2)CC1.CN1CCN(C2CCN(CC(=O)OCCCN3CCOCC3)CC2)CC1.CN1CCN(C2CCN(CC(=O)OCCN3CCCCC3=O)CC2)CC1
InChIInChI=1S/C20H38N4O2.C19H36N4O3.2C19H34N4O3.C18H34N4O3.C17H34N4O2/c1-21-13-15-24(16-14-21)19-6-11-23(12-7-19)18-20(25)26-17-5-10-22-8-3-2-4-9-22;1-20-8-10-23(11-9-20)18-3-6-22(7-4-18)17-19(24)26-14-2-5-21-12-15-25-16-13-21;1-20-10-12-22(13-11-20)17-5-8-21(9-6-17)16-19(25)26-15-14-23-7-3-2-4-18(23)24;1-20-11-13-22(14-12-20)17-5-9-21(10-6-17)15-19(25)26-16-18(24)23-7-3-2-4-8-23;1-4-21(5-2)17(23)15-25-18(24)14-20-8-6-16(7-9-20)22-12-10-19(3)11-13-22;1-18(2)7-4-14-23-17(22)15-20-8-5-16(6-9-20)21-12-10-19(3)11-13-21/h19H,2-18H2,1H3;18H,2-17H2,1H3;2*17H,2-16H2,1H3;16H,4-15H2,1-3H3;16H,4-15H2,1-3H3
InChIKeyFVHWSFKSXVWQHG-UHFFFAOYSA-N
MW2149.06 g/mol
LogP1.89
Rot. Bonds39

About [2-(diethylamino)-2-oxoethyl] 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate;3-(dimethylamino)propyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate;3-morpholin-4-ylpropyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate;2-(2-oxopiperidin-1-yl)ethyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate;(2-oxo-2-piperidin-1-ylethyl) 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate;3-piperidin-1-ylpropyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate

[2-(diethylamino)-2-oxoethyl] 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate;3-(dimethylamino)propyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate;3-morpholin-4-ylpropyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate;2-(2-oxopiperidin-1-yl)ethyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate;(2-oxo-2-piperidin-1-ylethyl) 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate;3-piperidin-1-ylpropyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate (PubChem CID 158152735) has the molecular formula C112H210N24O16 and a molecular weight of 2149.06 g/mol. Its IUPAC name is [2-(diethylamino)-2-oxoethyl] 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate;3-(dimethylamino)propyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate;3-morpholin-4-ylpropyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate;2-(2-oxopiperidin-1-yl)ethyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate;(2-oxo-2-piperidin-1-ylethyl) 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate;3-piperidin-1-ylpropyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate.

Molecular Properties

Compound Name[2-(diethylamino)-2-oxoethyl] 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate;3-(dimethylamino)propyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate;3-morpholin-4-ylpropyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate;2-(2-oxopiperidin-1-yl)ethyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate;(2-oxo-2-piperidin-1-ylethyl) 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate;3-piperidin-1-ylpropyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate
PubChem CID158152735
Molecular FormulaC112H210N24O16
Molecular Weight2149.06 g/mol
Exact Mass2147.64
IUPAC Name[2-(diethylamino)-2-oxoethyl] 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate;3-(dimethylamino)propyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate;3-morpholin-4-ylpropyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate;2-(2-oxopiperidin-1-yl)ethyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate;(2-oxo-2-piperidin-1-ylethyl) 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate;3-piperidin-1-ylpropyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate
SMILESCCN(CC)C(=O)COC(=O)CN1CCC(N2CCN(C)CC2)CC1.CN(C)CCCOC(=O)CN1CCC(N2CCN(C)CC2)CC1.CN1CCN(C2CCN(CC(=O)OCC(=O)N3CCCCC3)CC2)CC1.CN1CCN(C2CCN(CC(=O)OCCCN3CCCCC3)CC2)CC1.CN1CCN(C2CCN(CC(=O)OCCCN3CCOCC3)CC2)CC1.CN1CCN(C2CCN(CC(=O)OCCN3CCCCC3=O)CC2)CC1
InChIInChI=1S/C20H38N4O2.C19H36N4O3.2C19H34N4O3.C18H34N4O3.C17H34N4O2/c1-21-13-15-24(16-14-21)19-6-11-23(12-7-19)18-20(25)26-17-5-10-22-8-3-2-4-9-22;1-20-8-10-23(11-9-20)18-3-6-22(7-4-18)17-19(24)26-14-2-5-21-12-15-25-16-13-21;1-20-10-12-22(13-11-20)17-5-8-21(9-6-17)16-19(25)26-15-14-23-7-3-2-4-18(23)24;1-20-11-13-22(14-12-20)17-5-9-21(10-6-17)15-19(25)26-16-18(24)23-7-3-2-4-8-23;1-4-21(5-2)17(23)15-25-18(24)14-20-8-6-16(7-9-20)22-12-10-19(3)11-13-22;1-18(2)7-4-14-23-17(22)15-20-8-5-16(6-9-20)21-12-10-19(3)11-13-21/h19H,2-18H2,1H3;18H,2-17H2,1H3;2*17H,2-16H2,1H3;16H,4-15H2,1-3H3;16H,4-15H2,1-3H3
InChIKeyFVHWSFKSXVWQHG-UHFFFAOYSA-N
XLogP1.89
TPSA296.00 Ų
H-Bond Donors
H-Bond Acceptors37
Rotatable Bonds39
Heavy Atoms152
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002149.06
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

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

Analyze [2-(diethylamino)-2-oxoethyl] 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate;3-(dimethylamino)propyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate;3-morpholin-4-ylpropyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate;2-(2-oxopiperidin-1-yl)ethyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate;(2-oxo-2-piperidin-1-ylethyl) 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate;3-piperidin-1-ylpropyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2-(diethylamino)-2-oxoethyl] 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate;3-(dimethylamino)propyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate;3-morpholin-4-ylpropyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate;2-(2-oxopiperidin-1-yl)ethyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate;(2-oxo-2-piperidin-1-ylethyl) 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate;3-piperidin-1-ylpropyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate?
The IUPAC name of [2-(diethylamino)-2-oxoethyl] 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate;3-(dimethylamino)propyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate;3-morpholin-4-ylpropyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate;2-(2-oxopiperidin-1-yl)ethyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate;(2-oxo-2-piperidin-1-ylethyl) 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate;3-piperidin-1-ylpropyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate (CID 158152735) is [2-(diethylamino)-2-oxoethyl] 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate;3-(dimethylamino)propyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate;3-morpholin-4-ylpropyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate;2-(2-oxopiperidin-1-yl)ethyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate;(2-oxo-2-piperidin-1-ylethyl) 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate;3-piperidin-1-ylpropyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate.
What is the SMILES notation for [2-(diethylamino)-2-oxoethyl] 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate;3-(dimethylamino)propyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate;3-morpholin-4-ylpropyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate;2-(2-oxopiperidin-1-yl)ethyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate;(2-oxo-2-piperidin-1-ylethyl) 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate;3-piperidin-1-ylpropyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate?
The canonical SMILES for [2-(diethylamino)-2-oxoethyl] 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate;3-(dimethylamino)propyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate;3-morpholin-4-ylpropyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate;2-(2-oxopiperidin-1-yl)ethyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate;(2-oxo-2-piperidin-1-ylethyl) 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate;3-piperidin-1-ylpropyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate is CCN(CC)C(=O)COC(=O)CN1CCC(N2CCN(C)CC2)CC1.CN(C)CCCOC(=O)CN1CCC(N2CCN(C)CC2)CC1.CN1CCN(C2CCN(CC(=O)OCC(=O)N3CCCCC3)CC2)CC1.CN1CCN(C2CCN(CC(=O)OCCCN3CCCCC3)CC2)CC1.CN1CCN(C2CCN(CC(=O)OCCCN3CCOCC3)CC2)CC1.CN1CCN(C2CCN(CC(=O)OCCN3CCCCC3=O)CC2)CC1.
What is the InChIKey of [2-(diethylamino)-2-oxoethyl] 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate;3-(dimethylamino)propyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate;3-morpholin-4-ylpropyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate;2-(2-oxopiperidin-1-yl)ethyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate;(2-oxo-2-piperidin-1-ylethyl) 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate;3-piperidin-1-ylpropyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate?
The InChIKey is FVHWSFKSXVWQHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N4O2.C19H36N4O3.2C19H34N4O3.C18H34N4O3.C17H34N4O2/c1-21-13-15-24(16-14-21)19-6-11-23(12-7-19)18-20(25)26-17-5-10-22-8-3-2-4-9-22;1-20-8-10-23(11-9-20)18-3-6-22(7-4-18)17-19(24)26-14-2-5-21-12-15-25-16-13-21;1-20-10-12-22(13-11-20)17-5-8-21(9-6-17)16-19(25)26-15-14-23-7-3-2-4-18(23)24;1-20-11-13-22(14-12-20)17-5-9-21(10-6-17)15-19(25)26-16-18(24)23-7-3-2-4-8-23;1-4-21(5-2)17(23)15-25-18(24)14-20-8-6-16(7-9-20)22-12-10-19(3)11-13-22;1-18(2)7-4-14-23-17(22)15-20-8-5-16(6-9-20)21-12-10-19(3)11-13-21/h19H,2-18H2,1H3;18H,2-17H2,1H3;2*17H,2-16H2,1H3;16H,4-15H2,1-3H3;16H,4-15H2,1-3H3.
What are the key properties of [2-(diethylamino)-2-oxoethyl] 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate;3-(dimethylamino)propyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate;3-morpholin-4-ylpropyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate;2-(2-oxopiperidin-1-yl)ethyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate;(2-oxo-2-piperidin-1-ylethyl) 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate;3-piperidin-1-ylpropyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate?
[2-(diethylamino)-2-oxoethyl] 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate;3-(dimethylamino)propyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate;3-morpholin-4-ylpropyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate;2-(2-oxopiperidin-1-yl)ethyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate;(2-oxo-2-piperidin-1-ylethyl) 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate;3-piperidin-1-ylpropyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate has a molecular weight of 2149.06 g/mol, XLogP of 1.89, 39 rotatable bonds, 0 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(diethylamino)-2-oxoethyl] 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate;3-(dimethylamino)propyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate;3-morpholin-4-ylpropyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate;2-(2-oxopiperidin-1-yl)ethyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate;(2-oxo-2-piperidin-1-ylethyl) 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate;3-piperidin-1-ylpropyl 2-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]acetate is sourced from PubChem (CID 158152735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).