1-(4-ethylpiperazin-1-yl)butan-1-one;1-(4-ethylpiperazin-1-yl)propan-1-one;1-(1-ethylpiperidin-4-yl)pentan-1-one;1-ethyl-4-(2-propoxyethyl)piperidine;1-ethyl-3-propoxypiperidine;1-ethyl-4-propoxypiperidine;1-ethyl-4-propylpiperazine;1-[1-(2-hydroxybutyl)piperidin-4-yl]hexan-2-one;methane;3-methyl-5-propyl-1,3-thiazolidine;propyl 2-(1-propylpiperidin-4-yl)acetate

C116H253N13O10S — CID 159702041

IUPAC1-(4-ethylpiperazin-1-yl)butan-1-one;1-(4-ethylpiperazin-1-yl)propan-1-one;1-(1-ethylpiperidin-4-yl)pentan-1-one;1-ethyl-4-(2-propoxyethyl)piperidine;1-ethyl-3-propoxypiperidine;1-ethyl-4-propoxypiperidine;1-ethyl-4-propylpiperazine;1-[1-(2-hydroxybutyl)piperidin-4-yl]hexan-2-one;methane;3-methyl-5-propyl-1,3-thiazolidine;propyl 2-(1-propylpiperidin-4-yl)acetate
SMILESC.C.C.C.C.C.C.C.C.CCC(=O)N1CCN(CC)CC1.CCCC(=O)N1CCN(CC)CC1.CCCC1CN(C)CS1.CCCCC(=O)C1CCN(CC)CC1.CCCCC(=O)CC1CCN(CC(O)CC)CC1.CCCN1CCN(CC)CC1.CCCOC(=O)CC1CCN(CCC)CC1.CCCOC1CCCN(CC)C1.CCCOC1CCN(CC)CC1.CCCOCCC1CCN(CC)CC1
InChIInChI=1S/C15H29NO2.C13H25NO2.C12H25NO.C12H23NO.C10H20N2O.2C10H21NO.C9H18N2O.C9H20N2.C7H15NS.9CH4/c1-3-5-6-15(18)11-13-7-9-16(10-8-13)12-14(17)4-2;1-3-7-14-8-5-12(6-9-14)11-13(15)16-10-4-2;1-3-10-14-11-7-12-5-8-13(4-2)9-6-12;1-3-5-6-12(14)11-7-9-13(4-2)10-8-11;1-3-5-10(13)12-8-6-11(4-2)7-9-12;1-3-9-12-10-5-7-11(4-2)8-6-10;1-3-8-12-10-6-5-7-11(4-2)9-10;1-3-9(12)11-7-5-10(4-2)6-8-11;1-3-5-11-8-6-10(4-2)7-9-11;1-3-4-7-5-8(2)6-9-7;;;;;;;;;/h13-14,17H,3-12H2,1-2H3;12H,3-11H2,1-2H3;12H,3-11H2,1-2H3;11H,3-10H2,1-2H3;3-9H2,1-2H3;2*10H,3-9H2,1-2H3;3-8H2,1-2H3;3-9H2,1-2H3;7H,3-6H2,1-2H3;9*1H4
InChIKeyMXSYZBLYFONAQJ-UHFFFAOYSA-N
MW2022.45 g/mol
LogP23.94
Rot. Bonds43

About 1-(4-ethylpiperazin-1-yl)butan-1-one;1-(4-ethylpiperazin-1-yl)propan-1-one;1-(1-ethylpiperidin-4-yl)pentan-1-one;1-ethyl-4-(2-propoxyethyl)piperidine;1-ethyl-3-propoxypiperidine;1-ethyl-4-propoxypiperidine;1-ethyl-4-propylpiperazine;1-[1-(2-hydroxybutyl)piperidin-4-yl]hexan-2-one;methane;3-methyl-5-propyl-1,3-thiazolidine;propyl 2-(1-propylpiperidin-4-yl)acetate

1-(4-ethylpiperazin-1-yl)butan-1-one;1-(4-ethylpiperazin-1-yl)propan-1-one;1-(1-ethylpiperidin-4-yl)pentan-1-one;1-ethyl-4-(2-propoxyethyl)piperidine;1-ethyl-3-propoxypiperidine;1-ethyl-4-propoxypiperidine;1-ethyl-4-propylpiperazine;1-[1-(2-hydroxybutyl)piperidin-4-yl]hexan-2-one;methane;3-methyl-5-propyl-1,3-thiazolidine;propyl 2-(1-propylpiperidin-4-yl)acetate (PubChem CID 159702041) has the molecular formula C116H253N13O10S and a molecular weight of 2022.45 g/mol. Its IUPAC name is 1-(4-ethylpiperazin-1-yl)butan-1-one;1-(4-ethylpiperazin-1-yl)propan-1-one;1-(1-ethylpiperidin-4-yl)pentan-1-one;1-ethyl-4-(2-propoxyethyl)piperidine;1-ethyl-3-propoxypiperidine;1-ethyl-4-propoxypiperidine;1-ethyl-4-propylpiperazine;1-[1-(2-hydroxybutyl)piperidin-4-yl]hexan-2-one;methane;3-methyl-5-propyl-1,3-thiazolidine;propyl 2-(1-propylpiperidin-4-yl)acetate.

Molecular Properties

Compound Name1-(4-ethylpiperazin-1-yl)butan-1-one;1-(4-ethylpiperazin-1-yl)propan-1-one;1-(1-ethylpiperidin-4-yl)pentan-1-one;1-ethyl-4-(2-propoxyethyl)piperidine;1-ethyl-3-propoxypiperidine;1-ethyl-4-propoxypiperidine;1-ethyl-4-propylpiperazine;1-[1-(2-hydroxybutyl)piperidin-4-yl]hexan-2-one;methane;3-methyl-5-propyl-1,3-thiazolidine;propyl 2-(1-propylpiperidin-4-yl)acetate
PubChem CID159702041
Molecular FormulaC116H253N13O10S
Molecular Weight2022.45 g/mol
Exact Mass2020.94
IUPAC Name1-(4-ethylpiperazin-1-yl)butan-1-one;1-(4-ethylpiperazin-1-yl)propan-1-one;1-(1-ethylpiperidin-4-yl)pentan-1-one;1-ethyl-4-(2-propoxyethyl)piperidine;1-ethyl-3-propoxypiperidine;1-ethyl-4-propoxypiperidine;1-ethyl-4-propylpiperazine;1-[1-(2-hydroxybutyl)piperidin-4-yl]hexan-2-one;methane;3-methyl-5-propyl-1,3-thiazolidine;propyl 2-(1-propylpiperidin-4-yl)acetate
SMILESC.C.C.C.C.C.C.C.C.CCC(=O)N1CCN(CC)CC1.CCCC(=O)N1CCN(CC)CC1.CCCC1CN(C)CS1.CCCCC(=O)C1CCN(CC)CC1.CCCCC(=O)CC1CCN(CC(O)CC)CC1.CCCN1CCN(CC)CC1.CCCOC(=O)CC1CCN(CCC)CC1.CCCOC1CCCN(CC)C1.CCCOC1CCN(CC)CC1.CCCOCCC1CCN(CC)CC1
InChIInChI=1S/C15H29NO2.C13H25NO2.C12H25NO.C12H23NO.C10H20N2O.2C10H21NO.C9H18N2O.C9H20N2.C7H15NS.9CH4/c1-3-5-6-15(18)11-13-7-9-16(10-8-13)12-14(17)4-2;1-3-7-14-8-5-12(6-9-14)11-13(15)16-10-4-2;1-3-10-14-11-7-12-5-8-13(4-2)9-6-12;1-3-5-6-12(14)11-7-9-13(4-2)10-8-11;1-3-5-10(13)12-8-6-11(4-2)7-9-12;1-3-9-12-10-5-7-11(4-2)8-6-10;1-3-8-12-10-6-5-7-11(4-2)9-10;1-3-9(12)11-7-5-10(4-2)6-8-11;1-3-5-11-8-6-10(4-2)7-9-11;1-3-4-7-5-8(2)6-9-7;;;;;;;;;/h13-14,17H,3-12H2,1-2H3;12H,3-11H2,1-2H3;12H,3-11H2,1-2H3;11H,3-10H2,1-2H3;3-9H2,1-2H3;2*10H,3-9H2,1-2H3;3-8H2,1-2H3;3-9H2,1-2H3;7H,3-6H2,1-2H3;9*1H4
InChIKeyMXSYZBLYFONAQJ-UHFFFAOYSA-N
XLogP23.94
TPSA184.62 Ų
H-Bond Donors1
H-Bond Acceptors22
Rotatable Bonds43
Heavy Atoms140
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002022.45
LogP ≤ 523.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

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

Analyze 1-(4-ethylpiperazin-1-yl)butan-1-one;1-(4-ethylpiperazin-1-yl)propan-1-one;1-(1-ethylpiperidin-4-yl)pentan-1-one;1-ethyl-4-(2-propoxyethyl)piperidine;1-ethyl-3-propoxypiperidine;1-ethyl-4-propoxypiperidine;1-ethyl-4-propylpiperazine;1-[1-(2-hydroxybutyl)piperidin-4-yl]hexan-2-one;methane;3-methyl-5-propyl-1,3-thiazolidine;propyl 2-(1-propylpiperidin-4-yl)acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylpiperazin-1-yl)butan-1-one;1-(4-ethylpiperazin-1-yl)propan-1-one;1-(1-ethylpiperidin-4-yl)pentan-1-one;1-ethyl-4-(2-propoxyethyl)piperidine;1-ethyl-3-propoxypiperidine;1-ethyl-4-propoxypiperidine;1-ethyl-4-propylpiperazine;1-[1-(2-hydroxybutyl)piperidin-4-yl]hexan-2-one;methane;3-methyl-5-propyl-1,3-thiazolidine;propyl 2-(1-propylpiperidin-4-yl)acetate?
The IUPAC name of 1-(4-ethylpiperazin-1-yl)butan-1-one;1-(4-ethylpiperazin-1-yl)propan-1-one;1-(1-ethylpiperidin-4-yl)pentan-1-one;1-ethyl-4-(2-propoxyethyl)piperidine;1-ethyl-3-propoxypiperidine;1-ethyl-4-propoxypiperidine;1-ethyl-4-propylpiperazine;1-[1-(2-hydroxybutyl)piperidin-4-yl]hexan-2-one;methane;3-methyl-5-propyl-1,3-thiazolidine;propyl 2-(1-propylpiperidin-4-yl)acetate (CID 159702041) is 1-(4-ethylpiperazin-1-yl)butan-1-one;1-(4-ethylpiperazin-1-yl)propan-1-one;1-(1-ethylpiperidin-4-yl)pentan-1-one;1-ethyl-4-(2-propoxyethyl)piperidine;1-ethyl-3-propoxypiperidine;1-ethyl-4-propoxypiperidine;1-ethyl-4-propylpiperazine;1-[1-(2-hydroxybutyl)piperidin-4-yl]hexan-2-one;methane;3-methyl-5-propyl-1,3-thiazolidine;propyl 2-(1-propylpiperidin-4-yl)acetate.
What is the SMILES notation for 1-(4-ethylpiperazin-1-yl)butan-1-one;1-(4-ethylpiperazin-1-yl)propan-1-one;1-(1-ethylpiperidin-4-yl)pentan-1-one;1-ethyl-4-(2-propoxyethyl)piperidine;1-ethyl-3-propoxypiperidine;1-ethyl-4-propoxypiperidine;1-ethyl-4-propylpiperazine;1-[1-(2-hydroxybutyl)piperidin-4-yl]hexan-2-one;methane;3-methyl-5-propyl-1,3-thiazolidine;propyl 2-(1-propylpiperidin-4-yl)acetate?
The canonical SMILES for 1-(4-ethylpiperazin-1-yl)butan-1-one;1-(4-ethylpiperazin-1-yl)propan-1-one;1-(1-ethylpiperidin-4-yl)pentan-1-one;1-ethyl-4-(2-propoxyethyl)piperidine;1-ethyl-3-propoxypiperidine;1-ethyl-4-propoxypiperidine;1-ethyl-4-propylpiperazine;1-[1-(2-hydroxybutyl)piperidin-4-yl]hexan-2-one;methane;3-methyl-5-propyl-1,3-thiazolidine;propyl 2-(1-propylpiperidin-4-yl)acetate is C.C.C.C.C.C.C.C.C.CCC(=O)N1CCN(CC)CC1.CCCC(=O)N1CCN(CC)CC1.CCCC1CN(C)CS1.CCCCC(=O)C1CCN(CC)CC1.CCCCC(=O)CC1CCN(CC(O)CC)CC1.CCCN1CCN(CC)CC1.CCCOC(=O)CC1CCN(CCC)CC1.CCCOC1CCCN(CC)C1.CCCOC1CCN(CC)CC1.CCCOCCC1CCN(CC)CC1.
What is the InChIKey of 1-(4-ethylpiperazin-1-yl)butan-1-one;1-(4-ethylpiperazin-1-yl)propan-1-one;1-(1-ethylpiperidin-4-yl)pentan-1-one;1-ethyl-4-(2-propoxyethyl)piperidine;1-ethyl-3-propoxypiperidine;1-ethyl-4-propoxypiperidine;1-ethyl-4-propylpiperazine;1-[1-(2-hydroxybutyl)piperidin-4-yl]hexan-2-one;methane;3-methyl-5-propyl-1,3-thiazolidine;propyl 2-(1-propylpiperidin-4-yl)acetate?
The InChIKey is MXSYZBLYFONAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2.C13H25NO2.C12H25NO.C12H23NO.C10H20N2O.2C10H21NO.C9H18N2O.C9H20N2.C7H15NS.9CH4/c1-3-5-6-15(18)11-13-7-9-16(10-8-13)12-14(17)4-2;1-3-7-14-8-5-12(6-9-14)11-13(15)16-10-4-2;1-3-10-14-11-7-12-5-8-13(4-2)9-6-12;1-3-5-6-12(14)11-7-9-13(4-2)10-8-11;1-3-5-10(13)12-8-6-11(4-2)7-9-12;1-3-9-12-10-5-7-11(4-2)8-6-10;1-3-8-12-10-6-5-7-11(4-2)9-10;1-3-9(12)11-7-5-10(4-2)6-8-11;1-3-5-11-8-6-10(4-2)7-9-11;1-3-4-7-5-8(2)6-9-7;;;;;;;;;/h13-14,17H,3-12H2,1-2H3;12H,3-11H2,1-2H3;12H,3-11H2,1-2H3;11H,3-10H2,1-2H3;3-9H2,1-2H3;2*10H,3-9H2,1-2H3;3-8H2,1-2H3;3-9H2,1-2H3;7H,3-6H2,1-2H3;9*1H4.
What are the key properties of 1-(4-ethylpiperazin-1-yl)butan-1-one;1-(4-ethylpiperazin-1-yl)propan-1-one;1-(1-ethylpiperidin-4-yl)pentan-1-one;1-ethyl-4-(2-propoxyethyl)piperidine;1-ethyl-3-propoxypiperidine;1-ethyl-4-propoxypiperidine;1-ethyl-4-propylpiperazine;1-[1-(2-hydroxybutyl)piperidin-4-yl]hexan-2-one;methane;3-methyl-5-propyl-1,3-thiazolidine;propyl 2-(1-propylpiperidin-4-yl)acetate?
1-(4-ethylpiperazin-1-yl)butan-1-one;1-(4-ethylpiperazin-1-yl)propan-1-one;1-(1-ethylpiperidin-4-yl)pentan-1-one;1-ethyl-4-(2-propoxyethyl)piperidine;1-ethyl-3-propoxypiperidine;1-ethyl-4-propoxypiperidine;1-ethyl-4-propylpiperazine;1-[1-(2-hydroxybutyl)piperidin-4-yl]hexan-2-one;methane;3-methyl-5-propyl-1,3-thiazolidine;propyl 2-(1-propylpiperidin-4-yl)acetate has a molecular weight of 2022.45 g/mol, XLogP of 23.94, 43 rotatable bonds, 1 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylpiperazin-1-yl)butan-1-one;1-(4-ethylpiperazin-1-yl)propan-1-one;1-(1-ethylpiperidin-4-yl)pentan-1-one;1-ethyl-4-(2-propoxyethyl)piperidine;1-ethyl-3-propoxypiperidine;1-ethyl-4-propoxypiperidine;1-ethyl-4-propylpiperazine;1-[1-(2-hydroxybutyl)piperidin-4-yl]hexan-2-one;methane;3-methyl-5-propyl-1,3-thiazolidine;propyl 2-(1-propylpiperidin-4-yl)acetate is sourced from PubChem (CID 159702041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).