1-[1-[4-(4-benzylpiperidin-1-yl)butyl]indol-3-yl]ethanone;1-[1-[3-(4-benzylpiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone;ethyl 1-[2-(3-acetylindol-1-yl)ethyl]piperidine-4-carboxylate;ethyl 1-[3-[3-(2,2,2-trifluoroacetyl)indol-1-yl]propyl]piperidine-4-carboxylate

C92H110F6N8O8 — CID 157365600

IUPAC1-[1-[4-(4-benzylpiperidin-1-yl)butyl]indol-3-yl]ethanone;1-[1-[3-(4-benzylpiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone;ethyl 1-[2-(3-acetylindol-1-yl)ethyl]piperidine-4-carboxylate;ethyl 1-[3-[3-(2,2,2-trifluoroacetyl)indol-1-yl]propyl]piperidine-4-carboxylate
SMILESCC(=O)c1cn(CCCCN2CCC(Cc3ccccc3)CC2)c2ccccc12.CCOC(=O)C1CCN(CCCn2cc(C(=O)C(F)(F)F)c3ccccc32)CC1.CCOC(=O)C1CCN(CCn2cc(C(C)=O)c3ccccc32)CC1.O=C(c1cn(CCCN2CCC(Cc3ccccc3)CC2)c2ccccc12)C(F)(F)F
InChIInChI=1S/C26H32N2O.C25H27F3N2O.C21H25F3N2O3.C20H26N2O3/c1-21(29)25-20-28(26-12-6-5-11-24(25)26)16-8-7-15-27-17-13-23(14-18-27)19-22-9-3-2-4-10-22;26-25(27,28)24(31)22-18-30(23-10-5-4-9-21(22)23)14-6-13-29-15-11-20(12-16-29)17-19-7-2-1-3-8-19;1-2-29-20(28)15-8-12-25(13-9-15)10-5-11-26-14-17(19(27)21(22,23)24)16-6-3-4-7-18(16)26;1-3-25-20(24)16-8-10-21(11-9-16)12-13-22-14-18(15(2)23)17-6-4-5-7-19(17)22/h2-6,9-12,20,23H,7-8,13-19H2,1H3;1-5,7-10,18,20H,6,11-17H2;3-4,6-7,14-15H,2,5,8-13H2,1H3;4-7,14,16H,3,8-13H2,1-2H3
InChIKeyBJDGVPDXNUVVMI-UHFFFAOYSA-N
MW1569.93 g/mol
LogP18.48
Rot. Bonds28

About 1-[1-[4-(4-benzylpiperidin-1-yl)butyl]indol-3-yl]ethanone;1-[1-[3-(4-benzylpiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone;ethyl 1-[2-(3-acetylindol-1-yl)ethyl]piperidine-4-carboxylate;ethyl 1-[3-[3-(2,2,2-trifluoroacetyl)indol-1-yl]propyl]piperidine-4-carboxylate

1-[1-[4-(4-benzylpiperidin-1-yl)butyl]indol-3-yl]ethanone;1-[1-[3-(4-benzylpiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone;ethyl 1-[2-(3-acetylindol-1-yl)ethyl]piperidine-4-carboxylate;ethyl 1-[3-[3-(2,2,2-trifluoroacetyl)indol-1-yl]propyl]piperidine-4-carboxylate (PubChem CID 157365600) has the molecular formula C92H110F6N8O8 and a molecular weight of 1569.93 g/mol. Its IUPAC name is 1-[1-[4-(4-benzylpiperidin-1-yl)butyl]indol-3-yl]ethanone;1-[1-[3-(4-benzylpiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone;ethyl 1-[2-(3-acetylindol-1-yl)ethyl]piperidine-4-carboxylate;ethyl 1-[3-[3-(2,2,2-trifluoroacetyl)indol-1-yl]propyl]piperidine-4-carboxylate.

Molecular Properties

Compound Name1-[1-[4-(4-benzylpiperidin-1-yl)butyl]indol-3-yl]ethanone;1-[1-[3-(4-benzylpiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone;ethyl 1-[2-(3-acetylindol-1-yl)ethyl]piperidine-4-carboxylate;ethyl 1-[3-[3-(2,2,2-trifluoroacetyl)indol-1-yl]propyl]piperidine-4-carboxylate
PubChem CID157365600
Molecular FormulaC92H110F6N8O8
Molecular Weight1569.93 g/mol
Exact Mass1568.84
IUPAC Name1-[1-[4-(4-benzylpiperidin-1-yl)butyl]indol-3-yl]ethanone;1-[1-[3-(4-benzylpiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone;ethyl 1-[2-(3-acetylindol-1-yl)ethyl]piperidine-4-carboxylate;ethyl 1-[3-[3-(2,2,2-trifluoroacetyl)indol-1-yl]propyl]piperidine-4-carboxylate
SMILESCC(=O)c1cn(CCCCN2CCC(Cc3ccccc3)CC2)c2ccccc12.CCOC(=O)C1CCN(CCCn2cc(C(=O)C(F)(F)F)c3ccccc32)CC1.CCOC(=O)C1CCN(CCn2cc(C(C)=O)c3ccccc32)CC1.O=C(c1cn(CCCN2CCC(Cc3ccccc3)CC2)c2ccccc12)C(F)(F)F
InChIInChI=1S/C26H32N2O.C25H27F3N2O.C21H25F3N2O3.C20H26N2O3/c1-21(29)25-20-28(26-12-6-5-11-24(25)26)16-8-7-15-27-17-13-23(14-18-27)19-22-9-3-2-4-10-22;26-25(27,28)24(31)22-18-30(23-10-5-4-9-21(22)23)14-6-13-29-15-11-20(12-16-29)17-19-7-2-1-3-8-19;1-2-29-20(28)15-8-12-25(13-9-15)10-5-11-26-14-17(19(27)21(22,23)24)16-6-3-4-7-18(16)26;1-3-25-20(24)16-8-10-21(11-9-16)12-13-22-14-18(15(2)23)17-6-4-5-7-19(17)22/h2-6,9-12,20,23H,7-8,13-19H2,1H3;1-5,7-10,18,20H,6,11-17H2;3-4,6-7,14-15H,2,5,8-13H2,1H3;4-7,14,16H,3,8-13H2,1-2H3
InChIKeyBJDGVPDXNUVVMI-UHFFFAOYSA-N
XLogP18.48
TPSA153.56 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds28
Heavy Atoms114
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001569.93
LogP ≤ 518.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 1-[1-[4-(4-benzylpiperidin-1-yl)butyl]indol-3-yl]ethanone;1-[1-[3-(4-benzylpiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone;ethyl 1-[2-(3-acetylindol-1-yl)ethyl]piperidine-4-carboxylate;ethyl 1-[3-[3-(2,2,2-trifluoroacetyl)indol-1-yl]propyl]piperidine-4-carboxylate with MolForge

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Related Compounds

1-[3-(4-benzylpiperidin-1-yl)propyl]-N-[(2-chlorophenyl)methyl]indole-3-carboxamide
CID 58967885
2,2,2-trifluoro-1-[1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indol-3-yl]ethanone
CID 23641729
1-[1-[3-[4-(cyclopropylmethoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone
CID 23641881
N-[1-[3-(3-acetylindol-1-yl)propyl]pyrrolidin-3-yl]acetamide
CID 69451477
1-[1-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone
CID 23641610
1-[1-[3-[3-(2-cyclopropylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indol-3-yl]-2,2,2-trifluoroethanone
CID 71175664
1-[1-[3-(4-benzoylpiperidin-1-yl)propyl]-5-methoxyindol-3-yl]ethanone
CID 23641667
ethyl 1-(2-anilinoethyl)piperidine-4-carboxylate
CID 71035315
1-[(1-ethylpiperidin-4-yl)methyl]indole-3-carboxylic acid
CID 54164902
ethyl 1-(3-phenylpropyl)pyrrolidine-3-carboxylate
CID 139211005
ethyl 2-[[benzyl-[3-(4-benzylpiperidin-1-yl)propyl]carbamoyl]amino]acetate;2,2,2-trifluoroacetic acid
CID 162114410
1-[1-[3-(4-butylpiperidin-1-yl)propyl]-6-methoxyindol-3-yl]ethanone;1-[1-[3-(4-hexylidenepiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[1-[3-(4-hexylpiperidin-1-yl)propyl]indol-3-yl]ethanone
CID 162141201

Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-(4-benzylpiperidin-1-yl)butyl]indol-3-yl]ethanone;1-[1-[3-(4-benzylpiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone;ethyl 1-[2-(3-acetylindol-1-yl)ethyl]piperidine-4-carboxylate;ethyl 1-[3-[3-(2,2,2-trifluoroacetyl)indol-1-yl]propyl]piperidine-4-carboxylate?
The IUPAC name of 1-[1-[4-(4-benzylpiperidin-1-yl)butyl]indol-3-yl]ethanone;1-[1-[3-(4-benzylpiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone;ethyl 1-[2-(3-acetylindol-1-yl)ethyl]piperidine-4-carboxylate;ethyl 1-[3-[3-(2,2,2-trifluoroacetyl)indol-1-yl]propyl]piperidine-4-carboxylate (CID 157365600) is 1-[1-[4-(4-benzylpiperidin-1-yl)butyl]indol-3-yl]ethanone;1-[1-[3-(4-benzylpiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone;ethyl 1-[2-(3-acetylindol-1-yl)ethyl]piperidine-4-carboxylate;ethyl 1-[3-[3-(2,2,2-trifluoroacetyl)indol-1-yl]propyl]piperidine-4-carboxylate.
What is the SMILES notation for 1-[1-[4-(4-benzylpiperidin-1-yl)butyl]indol-3-yl]ethanone;1-[1-[3-(4-benzylpiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone;ethyl 1-[2-(3-acetylindol-1-yl)ethyl]piperidine-4-carboxylate;ethyl 1-[3-[3-(2,2,2-trifluoroacetyl)indol-1-yl]propyl]piperidine-4-carboxylate?
The canonical SMILES for 1-[1-[4-(4-benzylpiperidin-1-yl)butyl]indol-3-yl]ethanone;1-[1-[3-(4-benzylpiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone;ethyl 1-[2-(3-acetylindol-1-yl)ethyl]piperidine-4-carboxylate;ethyl 1-[3-[3-(2,2,2-trifluoroacetyl)indol-1-yl]propyl]piperidine-4-carboxylate is CC(=O)c1cn(CCCCN2CCC(Cc3ccccc3)CC2)c2ccccc12.CCOC(=O)C1CCN(CCCn2cc(C(=O)C(F)(F)F)c3ccccc32)CC1.CCOC(=O)C1CCN(CCn2cc(C(C)=O)c3ccccc32)CC1.O=C(c1cn(CCCN2CCC(Cc3ccccc3)CC2)c2ccccc12)C(F)(F)F.
What is the InChIKey of 1-[1-[4-(4-benzylpiperidin-1-yl)butyl]indol-3-yl]ethanone;1-[1-[3-(4-benzylpiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone;ethyl 1-[2-(3-acetylindol-1-yl)ethyl]piperidine-4-carboxylate;ethyl 1-[3-[3-(2,2,2-trifluoroacetyl)indol-1-yl]propyl]piperidine-4-carboxylate?
The InChIKey is BJDGVPDXNUVVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O.C25H27F3N2O.C21H25F3N2O3.C20H26N2O3/c1-21(29)25-20-28(26-12-6-5-11-24(25)26)16-8-7-15-27-17-13-23(14-18-27)19-22-9-3-2-4-10-22;26-25(27,28)24(31)22-18-30(23-10-5-4-9-21(22)23)14-6-13-29-15-11-20(12-16-29)17-19-7-2-1-3-8-19;1-2-29-20(28)15-8-12-25(13-9-15)10-5-11-26-14-17(19(27)21(22,23)24)16-6-3-4-7-18(16)26;1-3-25-20(24)16-8-10-21(11-9-16)12-13-22-14-18(15(2)23)17-6-4-5-7-19(17)22/h2-6,9-12,20,23H,7-8,13-19H2,1H3;1-5,7-10,18,20H,6,11-17H2;3-4,6-7,14-15H,2,5,8-13H2,1H3;4-7,14,16H,3,8-13H2,1-2H3.
What are the key properties of 1-[1-[4-(4-benzylpiperidin-1-yl)butyl]indol-3-yl]ethanone;1-[1-[3-(4-benzylpiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone;ethyl 1-[2-(3-acetylindol-1-yl)ethyl]piperidine-4-carboxylate;ethyl 1-[3-[3-(2,2,2-trifluoroacetyl)indol-1-yl]propyl]piperidine-4-carboxylate?
1-[1-[4-(4-benzylpiperidin-1-yl)butyl]indol-3-yl]ethanone;1-[1-[3-(4-benzylpiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone;ethyl 1-[2-(3-acetylindol-1-yl)ethyl]piperidine-4-carboxylate;ethyl 1-[3-[3-(2,2,2-trifluoroacetyl)indol-1-yl]propyl]piperidine-4-carboxylate has a molecular weight of 1569.93 g/mol, XLogP of 18.48, 28 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-(4-benzylpiperidin-1-yl)butyl]indol-3-yl]ethanone;1-[1-[3-(4-benzylpiperidin-1-yl)propyl]indol-3-yl]-2,2,2-trifluoroethanone;ethyl 1-[2-(3-acetylindol-1-yl)ethyl]piperidine-4-carboxylate;ethyl 1-[3-[3-(2,2,2-trifluoroacetyl)indol-1-yl]propyl]piperidine-4-carboxylate is sourced from PubChem (CID 157365600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).