2-(dimethylamino)ethyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate;[2-(dimethylamino)-2-oxoethyl] 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate;3-(dimethylamino)propyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate;2-(2-oxopiperidin-1-yl)ethyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate;(2-oxo-2-piperidin-1-ylethyl) 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate;3-(2-oxopiperidin-1-yl)propyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate;2-piperidin-1-ylethyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate

C126H236N28O18 — CID 160644893

IUPAC2-(dimethylamino)ethyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate;[2-(dimethylamino)-2-oxoethyl] 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate;3-(dimethylamino)propyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate;2-(2-oxopiperidin-1-yl)ethyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate;(2-oxo-2-piperidin-1-ylethyl) 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate;3-(2-oxopiperidin-1-yl)propyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate;2-piperidin-1-ylethyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate
SMILESCN(C)CCCOC(=O)CN1CCN(C2CCN(C)CC2)CC1.CN(C)CCOC(=O)CN1CCN(C2CCN(C)CC2)CC1.CN1CCC(N2CCN(CC(=O)OCC(=O)N(C)C)CC2)CC1.CN1CCC(N2CCN(CC(=O)OCC(=O)N3CCCCC3)CC2)CC1.CN1CCC(N2CCN(CC(=O)OCCCN3CCCCC3=O)CC2)CC1.CN1CCC(N2CCN(CC(=O)OCCN3CCCCC3)CC2)CC1.CN1CCC(N2CCN(CC(=O)OCCN3CCCCC3=O)CC2)CC1
InChIInChI=1S/C20H36N4O3.2C19H34N4O3.C19H36N4O2.C17H34N4O2.C16H30N4O3.C16H32N4O2/c1-21-10-6-18(7-11-21)23-14-12-22(13-15-23)17-20(26)27-16-4-9-24-8-3-2-5-19(24)25;1-20-8-5-17(6-9-20)22-12-10-21(11-13-22)16-19(25)26-15-14-23-7-3-2-4-18(23)24;1-20-9-5-17(6-10-20)22-13-11-21(12-14-22)15-19(25)26-16-18(24)23-7-3-2-4-8-23;1-20-9-5-18(6-10-20)23-13-11-22(12-14-23)17-19(24)25-16-15-21-7-3-2-4-8-21;1-18(2)7-4-14-23-17(22)15-20-10-12-21(13-11-20)16-5-8-19(3)9-6-16;1-17(2)15(21)13-23-16(22)12-19-8-10-20(11-9-19)14-4-6-18(3)7-5-14;1-17(2)12-13-22-16(21)14-19-8-10-20(11-9-19)15-4-6-18(3)7-5-15/h18H,2-17H2,1H3;2*17H,2-16H2,1H3;18H,2-17H2,1H3;16H,4-15H2,1-3H3;14H,4-13H2,1-3H3;15H,4-14H2,1-3H3
InChIKeyRJQUBNXCGZTDAH-UHFFFAOYSA-N
MW2431.45 g/mol
LogP1.20
Rot. Bonds42

About 2-(dimethylamino)ethyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate;[2-(dimethylamino)-2-oxoethyl] 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate;3-(dimethylamino)propyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate;2-(2-oxopiperidin-1-yl)ethyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate;(2-oxo-2-piperidin-1-ylethyl) 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate;3-(2-oxopiperidin-1-yl)propyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate;2-piperidin-1-ylethyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate

2-(dimethylamino)ethyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate;[2-(dimethylamino)-2-oxoethyl] 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate;3-(dimethylamino)propyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate;2-(2-oxopiperidin-1-yl)ethyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate;(2-oxo-2-piperidin-1-ylethyl) 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate;3-(2-oxopiperidin-1-yl)propyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate;2-piperidin-1-ylethyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate (PubChem CID 160644893) has the molecular formula C126H236N28O18 and a molecular weight of 2431.45 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate;[2-(dimethylamino)-2-oxoethyl] 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate;3-(dimethylamino)propyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate;2-(2-oxopiperidin-1-yl)ethyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate;(2-oxo-2-piperidin-1-ylethyl) 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate;3-(2-oxopiperidin-1-yl)propyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate;2-piperidin-1-ylethyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate.

Molecular Properties

Compound Name2-(dimethylamino)ethyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate;[2-(dimethylamino)-2-oxoethyl] 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate;3-(dimethylamino)propyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate;2-(2-oxopiperidin-1-yl)ethyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate;(2-oxo-2-piperidin-1-ylethyl) 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate;3-(2-oxopiperidin-1-yl)propyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate;2-piperidin-1-ylethyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate
PubChem CID160644893
Molecular FormulaC126H236N28O18
Molecular Weight2431.45 g/mol
Exact Mass2429.84
IUPAC Name2-(dimethylamino)ethyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate;[2-(dimethylamino)-2-oxoethyl] 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate;3-(dimethylamino)propyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate;2-(2-oxopiperidin-1-yl)ethyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate;(2-oxo-2-piperidin-1-ylethyl) 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate;3-(2-oxopiperidin-1-yl)propyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate;2-piperidin-1-ylethyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate
SMILESCN(C)CCCOC(=O)CN1CCN(C2CCN(C)CC2)CC1.CN(C)CCOC(=O)CN1CCN(C2CCN(C)CC2)CC1.CN1CCC(N2CCN(CC(=O)OCC(=O)N(C)C)CC2)CC1.CN1CCC(N2CCN(CC(=O)OCC(=O)N3CCCCC3)CC2)CC1.CN1CCC(N2CCN(CC(=O)OCCCN3CCCCC3=O)CC2)CC1.CN1CCC(N2CCN(CC(=O)OCCN3CCCCC3)CC2)CC1.CN1CCC(N2CCN(CC(=O)OCCN3CCCCC3=O)CC2)CC1
InChIInChI=1S/C20H36N4O3.2C19H34N4O3.C19H36N4O2.C17H34N4O2.C16H30N4O3.C16H32N4O2/c1-21-10-6-18(7-11-21)23-14-12-22(13-15-23)17-20(26)27-16-4-9-24-8-3-2-5-19(24)25;1-20-8-5-17(6-9-20)22-12-10-21(11-13-22)16-19(25)26-15-14-23-7-3-2-4-18(23)24;1-20-9-5-17(6-10-20)22-13-11-21(12-14-22)15-19(25)26-16-18(24)23-7-3-2-4-8-23;1-20-9-5-18(6-10-20)23-13-11-22(12-14-23)17-19(24)25-16-15-21-7-3-2-4-8-21;1-18(2)7-4-14-23-17(22)15-20-10-12-21(13-11-20)16-5-8-19(3)9-6-16;1-17(2)15(21)13-23-16(22)12-19-8-10-20(11-9-19)14-4-6-18(3)7-5-14;1-17(2)12-13-22-16(21)14-19-8-10-20(11-9-19)15-4-6-18(3)7-5-15/h18H,2-17H2,1H3;2*17H,2-16H2,1H3;18H,2-17H2,1H3;16H,4-15H2,1-3H3;14H,4-13H2,1-3H3;15H,4-14H2,1-3H3
InChIKeyRJQUBNXCGZTDAH-UHFFFAOYSA-N
XLogP1.20
TPSA343.10 Ų
H-Bond Donors
H-Bond Acceptors42
Rotatable Bonds42
Heavy Atoms172
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002431.45
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1042

Computed Properties (RDKit)

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

Analyze 2-(dimethylamino)ethyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate;[2-(dimethylamino)-2-oxoethyl] 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate;3-(dimethylamino)propyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate;2-(2-oxopiperidin-1-yl)ethyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate;(2-oxo-2-piperidin-1-ylethyl) 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate;3-(2-oxopiperidin-1-yl)propyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate;2-piperidin-1-ylethyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate;[2-(dimethylamino)-2-oxoethyl] 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate;3-(dimethylamino)propyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate;2-(2-oxopiperidin-1-yl)ethyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate;(2-oxo-2-piperidin-1-ylethyl) 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate;3-(2-oxopiperidin-1-yl)propyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate;2-piperidin-1-ylethyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate?
The IUPAC name of 2-(dimethylamino)ethyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate;[2-(dimethylamino)-2-oxoethyl] 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate;3-(dimethylamino)propyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate;2-(2-oxopiperidin-1-yl)ethyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate;(2-oxo-2-piperidin-1-ylethyl) 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate;3-(2-oxopiperidin-1-yl)propyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate;2-piperidin-1-ylethyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate (CID 160644893) is 2-(dimethylamino)ethyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate;[2-(dimethylamino)-2-oxoethyl] 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate;3-(dimethylamino)propyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate;2-(2-oxopiperidin-1-yl)ethyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate;(2-oxo-2-piperidin-1-ylethyl) 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate;3-(2-oxopiperidin-1-yl)propyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate;2-piperidin-1-ylethyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate.
What is the SMILES notation for 2-(dimethylamino)ethyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate;[2-(dimethylamino)-2-oxoethyl] 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate;3-(dimethylamino)propyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate;2-(2-oxopiperidin-1-yl)ethyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate;(2-oxo-2-piperidin-1-ylethyl) 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate;3-(2-oxopiperidin-1-yl)propyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate;2-piperidin-1-ylethyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate?
The canonical SMILES for 2-(dimethylamino)ethyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate;[2-(dimethylamino)-2-oxoethyl] 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate;3-(dimethylamino)propyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate;2-(2-oxopiperidin-1-yl)ethyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate;(2-oxo-2-piperidin-1-ylethyl) 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate;3-(2-oxopiperidin-1-yl)propyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate;2-piperidin-1-ylethyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate is CN(C)CCCOC(=O)CN1CCN(C2CCN(C)CC2)CC1.CN(C)CCOC(=O)CN1CCN(C2CCN(C)CC2)CC1.CN1CCC(N2CCN(CC(=O)OCC(=O)N(C)C)CC2)CC1.CN1CCC(N2CCN(CC(=O)OCC(=O)N3CCCCC3)CC2)CC1.CN1CCC(N2CCN(CC(=O)OCCCN3CCCCC3=O)CC2)CC1.CN1CCC(N2CCN(CC(=O)OCCN3CCCCC3)CC2)CC1.CN1CCC(N2CCN(CC(=O)OCCN3CCCCC3=O)CC2)CC1.
What is the InChIKey of 2-(dimethylamino)ethyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate;[2-(dimethylamino)-2-oxoethyl] 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate;3-(dimethylamino)propyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate;2-(2-oxopiperidin-1-yl)ethyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate;(2-oxo-2-piperidin-1-ylethyl) 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate;3-(2-oxopiperidin-1-yl)propyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate;2-piperidin-1-ylethyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate?
The InChIKey is RJQUBNXCGZTDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N4O3.2C19H34N4O3.C19H36N4O2.C17H34N4O2.C16H30N4O3.C16H32N4O2/c1-21-10-6-18(7-11-21)23-14-12-22(13-15-23)17-20(26)27-16-4-9-24-8-3-2-5-19(24)25;1-20-8-5-17(6-9-20)22-12-10-21(11-13-22)16-19(25)26-15-14-23-7-3-2-4-18(23)24;1-20-9-5-17(6-10-20)22-13-11-21(12-14-22)15-19(25)26-16-18(24)23-7-3-2-4-8-23;1-20-9-5-18(6-10-20)23-13-11-22(12-14-23)17-19(24)25-16-15-21-7-3-2-4-8-21;1-18(2)7-4-14-23-17(22)15-20-10-12-21(13-11-20)16-5-8-19(3)9-6-16;1-17(2)15(21)13-23-16(22)12-19-8-10-20(11-9-19)14-4-6-18(3)7-5-14;1-17(2)12-13-22-16(21)14-19-8-10-20(11-9-19)15-4-6-18(3)7-5-15/h18H,2-17H2,1H3;2*17H,2-16H2,1H3;18H,2-17H2,1H3;16H,4-15H2,1-3H3;14H,4-13H2,1-3H3;15H,4-14H2,1-3H3.
What are the key properties of 2-(dimethylamino)ethyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate;[2-(dimethylamino)-2-oxoethyl] 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate;3-(dimethylamino)propyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate;2-(2-oxopiperidin-1-yl)ethyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate;(2-oxo-2-piperidin-1-ylethyl) 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate;3-(2-oxopiperidin-1-yl)propyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate;2-piperidin-1-ylethyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate?
2-(dimethylamino)ethyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate;[2-(dimethylamino)-2-oxoethyl] 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate;3-(dimethylamino)propyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate;2-(2-oxopiperidin-1-yl)ethyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate;(2-oxo-2-piperidin-1-ylethyl) 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate;3-(2-oxopiperidin-1-yl)propyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate;2-piperidin-1-ylethyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate has a molecular weight of 2431.45 g/mol, XLogP of 1.20, 42 rotatable bonds, 0 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate;[2-(dimethylamino)-2-oxoethyl] 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate;3-(dimethylamino)propyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate;2-(2-oxopiperidin-1-yl)ethyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate;(2-oxo-2-piperidin-1-ylethyl) 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate;3-(2-oxopiperidin-1-yl)propyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate;2-piperidin-1-ylethyl 2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]acetate is sourced from PubChem (CID 160644893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).