ethyl 2-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]acetate;ethyl 2-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]propanoate;ethyl 2-piperidin-4-ylacetate;2-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]-N-(4-methylphenyl)propanamide;2-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]propanoic acid

C87H106F4N10O9 — CID 159618087

IUPACethyl 2-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]acetate;ethyl 2-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]propanoate;ethyl 2-piperidin-4-ylacetate;2-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]-N-(4-methylphenyl)propanamide;2-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]propanoic acid
SMILESCC(C(=O)O)C1CCN(c2ccnc3ccc(F)cc23)CC1.CCOC(=O)C(C)C1CCN(c2ccnc3ccc(F)cc23)CC1.CCOC(=O)CC1CCN(c2ccnc3ccc(F)cc23)CC1.CCOC(=O)CC1CCNCC1.Cc1ccc(NC(=O)C(C)C2CCN(c3ccnc4ccc(F)cc34)CC2)cc1
InChIInChI=1S/C24H26FN3O.C19H23FN2O2.C18H21FN2O2.C17H19FN2O2.C9H17NO2/c1-16-3-6-20(7-4-16)27-24(29)17(2)18-10-13-28(14-11-18)23-9-12-26-22-8-5-19(25)15-21(22)23;1-3-24-19(23)13(2)14-7-10-22(11-8-14)18-6-9-21-17-5-4-15(20)12-16(17)18;1-2-23-18(22)11-13-6-9-21(10-7-13)17-5-8-20-16-4-3-14(19)12-15(16)17;1-11(17(21)22)12-5-8-20(9-6-12)16-4-7-19-15-3-2-13(18)10-14(15)16;1-2-12-9(11)7-8-3-5-10-6-4-8/h3-9,12,15,17-18H,10-11,13-14H2,1-2H3,(H,27,29);4-6,9,12-14H,3,7-8,10-11H2,1-2H3;3-5,8,12-13H,2,6-7,9-11H2,1H3;2-4,7,10-12H,5-6,8-9H2,1H3,(H,21,22);8,10H,2-7H2,1H3
InChIKeyMNNRGPBLFOBUSC-UHFFFAOYSA-N
MW1511.86 g/mol
LogP16.76
Rot. Bonds18

About ethyl 2-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]acetate;ethyl 2-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]propanoate;ethyl 2-piperidin-4-ylacetate;2-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]-N-(4-methylphenyl)propanamide;2-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]propanoic acid

ethyl 2-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]acetate;ethyl 2-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]propanoate;ethyl 2-piperidin-4-ylacetate;2-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]-N-(4-methylphenyl)propanamide;2-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]propanoic acid (PubChem CID 159618087) has the molecular formula C87H106F4N10O9 and a molecular weight of 1511.86 g/mol. Its IUPAC name is ethyl 2-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]acetate;ethyl 2-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]propanoate;ethyl 2-piperidin-4-ylacetate;2-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]-N-(4-methylphenyl)propanamide;2-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]propanoic acid.

Molecular Properties

Compound Nameethyl 2-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]acetate;ethyl 2-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]propanoate;ethyl 2-piperidin-4-ylacetate;2-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]-N-(4-methylphenyl)propanamide;2-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]propanoic acid
PubChem CID159618087
Molecular FormulaC87H106F4N10O9
Molecular Weight1511.86 g/mol
Exact Mass1510.81
IUPAC Nameethyl 2-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]acetate;ethyl 2-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]propanoate;ethyl 2-piperidin-4-ylacetate;2-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]-N-(4-methylphenyl)propanamide;2-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]propanoic acid
SMILESCC(C(=O)O)C1CCN(c2ccnc3ccc(F)cc23)CC1.CCOC(=O)C(C)C1CCN(c2ccnc3ccc(F)cc23)CC1.CCOC(=O)CC1CCN(c2ccnc3ccc(F)cc23)CC1.CCOC(=O)CC1CCNCC1.Cc1ccc(NC(=O)C(C)C2CCN(c3ccnc4ccc(F)cc34)CC2)cc1
InChIInChI=1S/C24H26FN3O.C19H23FN2O2.C18H21FN2O2.C17H19FN2O2.C9H17NO2/c1-16-3-6-20(7-4-16)27-24(29)17(2)18-10-13-28(14-11-18)23-9-12-26-22-8-5-19(25)15-21(22)23;1-3-24-19(23)13(2)14-7-10-22(11-8-14)18-6-9-21-17-5-4-15(20)12-16(17)18;1-2-23-18(22)11-13-6-9-21(10-7-13)17-5-8-20-16-4-3-14(19)12-15(16)17;1-11(17(21)22)12-5-8-20(9-6-12)16-4-7-19-15-3-2-13(18)10-14(15)16;1-2-12-9(11)7-8-3-5-10-6-4-8/h3-9,12,15,17-18H,10-11,13-14H2,1-2H3,(H,27,29);4-6,9,12-14H,3,7-8,10-11H2,1-2H3;3-5,8,12-13H,2,6-7,9-11H2,1H3;2-4,7,10-12H,5-6,8-9H2,1H3,(H,21,22);8,10H,2-7H2,1H3
InChIKeyMNNRGPBLFOBUSC-UHFFFAOYSA-N
XLogP16.76
TPSA221.85 Ų
H-Bond Donors3
H-Bond Acceptors17
Rotatable Bonds18
Heavy Atoms110
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001511.86
LogP ≤ 516.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze ethyl 2-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]acetate;ethyl 2-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]propanoate;ethyl 2-piperidin-4-ylacetate;2-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]-N-(4-methylphenyl)propanamide;2-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]propanoic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]acetate;ethyl 2-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]propanoate;ethyl 2-piperidin-4-ylacetate;2-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]-N-(4-methylphenyl)propanamide;2-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]propanoic acid?
The IUPAC name of ethyl 2-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]acetate;ethyl 2-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]propanoate;ethyl 2-piperidin-4-ylacetate;2-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]-N-(4-methylphenyl)propanamide;2-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]propanoic acid (CID 159618087) is ethyl 2-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]acetate;ethyl 2-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]propanoate;ethyl 2-piperidin-4-ylacetate;2-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]-N-(4-methylphenyl)propanamide;2-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]propanoic acid.
What is the SMILES notation for ethyl 2-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]acetate;ethyl 2-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]propanoate;ethyl 2-piperidin-4-ylacetate;2-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]-N-(4-methylphenyl)propanamide;2-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]propanoic acid?
The canonical SMILES for ethyl 2-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]acetate;ethyl 2-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]propanoate;ethyl 2-piperidin-4-ylacetate;2-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]-N-(4-methylphenyl)propanamide;2-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]propanoic acid is CC(C(=O)O)C1CCN(c2ccnc3ccc(F)cc23)CC1.CCOC(=O)C(C)C1CCN(c2ccnc3ccc(F)cc23)CC1.CCOC(=O)CC1CCN(c2ccnc3ccc(F)cc23)CC1.CCOC(=O)CC1CCNCC1.Cc1ccc(NC(=O)C(C)C2CCN(c3ccnc4ccc(F)cc34)CC2)cc1.
What is the InChIKey of ethyl 2-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]acetate;ethyl 2-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]propanoate;ethyl 2-piperidin-4-ylacetate;2-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]-N-(4-methylphenyl)propanamide;2-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]propanoic acid?
The InChIKey is MNNRGPBLFOBUSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O.C19H23FN2O2.C18H21FN2O2.C17H19FN2O2.C9H17NO2/c1-16-3-6-20(7-4-16)27-24(29)17(2)18-10-13-28(14-11-18)23-9-12-26-22-8-5-19(25)15-21(22)23;1-3-24-19(23)13(2)14-7-10-22(11-8-14)18-6-9-21-17-5-4-15(20)12-16(17)18;1-2-23-18(22)11-13-6-9-21(10-7-13)17-5-8-20-16-4-3-14(19)12-15(16)17;1-11(17(21)22)12-5-8-20(9-6-12)16-4-7-19-15-3-2-13(18)10-14(15)16;1-2-12-9(11)7-8-3-5-10-6-4-8/h3-9,12,15,17-18H,10-11,13-14H2,1-2H3,(H,27,29);4-6,9,12-14H,3,7-8,10-11H2,1-2H3;3-5,8,12-13H,2,6-7,9-11H2,1H3;2-4,7,10-12H,5-6,8-9H2,1H3,(H,21,22);8,10H,2-7H2,1H3.
What are the key properties of ethyl 2-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]acetate;ethyl 2-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]propanoate;ethyl 2-piperidin-4-ylacetate;2-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]-N-(4-methylphenyl)propanamide;2-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]propanoic acid?
ethyl 2-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]acetate;ethyl 2-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]propanoate;ethyl 2-piperidin-4-ylacetate;2-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]-N-(4-methylphenyl)propanamide;2-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]propanoic acid has a molecular weight of 1511.86 g/mol, XLogP of 16.76, 18 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]acetate;ethyl 2-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]propanoate;ethyl 2-piperidin-4-ylacetate;2-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]-N-(4-methylphenyl)propanamide;2-[1-(6-fluoroquinolin-4-yl)piperidin-4-yl]propanoic acid is sourced from PubChem (CID 159618087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).