1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-(4-hexylidenepiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indol-3-yl]ethanone;N-[(3-methylphenyl)methyl]-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide

C108H132FN9O6 — CID 159645670

IUPAC1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-(4-hexylidenepiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indol-3-yl]ethanone;N-[(3-methylphenyl)methyl]-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide
SMILESCC(=O)c1cn(CCCN2CCC(Oc3ccc(F)cc3)CC2)c2ccccc12.CCCCCC=C1CCN(CCCn2cc(C(C)=O)c3ccccc32)CC1.COc1ccccc1C1CCN(CCCn2cc(C(C)=O)c3ccccc32)CC1.Cc1cccc(CNC(=O)c2cn(CCCN3C4CCC3CC(CCc3ccccc3)C4)c3ccccc23)c1
InChIInChI=1S/C35H41N3O.C25H30N2O2.C24H27FN2O2.C24H34N2O/c1-26-9-7-12-29(21-26)24-36-35(39)33-25-37(34-14-6-5-13-32(33)34)19-8-20-38-30-17-18-31(38)23-28(22-30)16-15-27-10-3-2-4-11-27;1-19(28)23-18-27(24-10-5-3-9-22(23)24)15-7-14-26-16-12-20(13-17-26)21-8-4-6-11-25(21)29-2;1-18(28)23-17-27(24-6-3-2-5-22(23)24)14-4-13-26-15-11-21(12-16-26)29-20-9-7-19(25)8-10-20;1-3-4-5-6-10-21-13-17-25(18-14-21)15-9-16-26-19-23(20(2)27)22-11-7-8-12-24(22)26/h2-7,9-14,21,25,28,30-31H,8,15-20,22-24H2,1H3,(H,36,39);3-6,8-11,18,20H,7,12-17H2,1-2H3;2-3,5-10,17,21H,4,11-16H2,1H3;7-8,10-12,19H,3-6,9,13-18H2,1-2H3
InChIKeyMQXPPZGKCJSZCX-UHFFFAOYSA-N
MW1671.30 g/mol
LogP23.02
Rot. Bonds33

About 1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-(4-hexylidenepiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indol-3-yl]ethanone;N-[(3-methylphenyl)methyl]-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide

1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-(4-hexylidenepiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indol-3-yl]ethanone;N-[(3-methylphenyl)methyl]-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide (PubChem CID 159645670) has the molecular formula C108H132FN9O6 and a molecular weight of 1671.30 g/mol. Its IUPAC name is 1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-(4-hexylidenepiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indol-3-yl]ethanone;N-[(3-methylphenyl)methyl]-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide.

Molecular Properties

Compound Name1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-(4-hexylidenepiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indol-3-yl]ethanone;N-[(3-methylphenyl)methyl]-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide
PubChem CID159645670
Molecular FormulaC108H132FN9O6
Molecular Weight1671.30 g/mol
Exact Mass1670.03
IUPAC Name1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-(4-hexylidenepiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indol-3-yl]ethanone;N-[(3-methylphenyl)methyl]-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide
SMILESCC(=O)c1cn(CCCN2CCC(Oc3ccc(F)cc3)CC2)c2ccccc12.CCCCCC=C1CCN(CCCn2cc(C(C)=O)c3ccccc32)CC1.COc1ccccc1C1CCN(CCCn2cc(C(C)=O)c3ccccc32)CC1.Cc1cccc(CNC(=O)c2cn(CCCN3C4CCC3CC(CCc3ccccc3)C4)c3ccccc23)c1
InChIInChI=1S/C35H41N3O.C25H30N2O2.C24H27FN2O2.C24H34N2O/c1-26-9-7-12-29(21-26)24-36-35(39)33-25-37(34-14-6-5-13-32(33)34)19-8-20-38-30-17-18-31(38)23-28(22-30)16-15-27-10-3-2-4-11-27;1-19(28)23-18-27(24-10-5-3-9-22(23)24)15-7-14-26-16-12-20(13-17-26)21-8-4-6-11-25(21)29-2;1-18(28)23-17-27(24-6-3-2-5-22(23)24)14-4-13-26-15-11-21(12-16-26)29-20-9-7-19(25)8-10-20;1-3-4-5-6-10-21-13-17-25(18-14-21)15-9-16-26-19-23(20(2)27)22-11-7-8-12-24(22)26/h2-7,9-14,21,25,28,30-31H,8,15-20,22-24H2,1H3,(H,36,39);3-6,8-11,18,20H,7,12-17H2,1-2H3;2-3,5-10,17,21H,4,11-16H2,1H3;7-8,10-12,19H,3-6,9,13-18H2,1-2H3
InChIKeyMQXPPZGKCJSZCX-UHFFFAOYSA-N
XLogP23.02
TPSA131.45 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds33
Heavy Atoms124
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001671.30
LogP ≤ 523.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-(4-hexylidenepiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indol-3-yl]ethanone;N-[(3-methylphenyl)methyl]-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide with MolForge

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Related Compounds

1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-(4-propan-2-ylphenyl)indole-4-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[1-(1-propan-2-ylpiperidin-4-yl)ethyl]indole-3-carboxamide;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-[(1S)-1-(oxan-4-yl)ethyl]-6-propan-2-yloxyindole-3-carboxamide;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-6-propan-2-yloxy-1-[(1S)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]indole-3-carboxamide
CID 157080571
(7S)-N-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[2-(4-methylpiperazin-1-yl)ethyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-N-[(1-methylpiperidin-4-yl)methyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;(7S)-7-propan-2-yl-N-(2-pyridin-2-ylethyl)-6-[[4-(trifluoromethyl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide
CID 158611555
6-cyclopentyloxy-2-propan-2-yl-1-(pyridin-2-ylmethyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indole-3-carboxamide;6-methyl-2-propan-2-yl-1-(pyridin-2-ylmethyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]indole-3-carboxamide
CID 158782988
4-(5-fluoro-2-pyridinyl)-1-(7,8,9,10-tetrahydro-6H-cyclohepta[b][1]benzofuran-3-yl)pyridin-2-one;1-[(1S)-1-methyl-1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridin-7-yl]-4-phenylmethoxypyridin-2-one;1-[(3S)-3-methyl-1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridin-7-yl]-4-phenylmethoxypyridin-2-one;1-[(1S)-1-methyl-1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridin-7-yl]-4-(pyridin-2-ylmethoxy)pyridin-2-one;1-[(3S)-3-methyl-1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridin-7-yl]-4-(pyridin-2-ylmethoxy)pyridin-2-one;1-(1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridin-7-yl)-4-[[6-(trifluoromethyl)-2-pyridinyl]methoxy]pyridin-2-one
CID 158973609
[4-[5-(aminomethyl)-2-fluorophenyl]piperidin-1-yl]-[7-fluoro-1-(2-methoxyethyl)-4-(trifluoromethoxy)indol-3-yl]methanone;2,2,2-trifluoro-N-[[4-fluoro-3-[1-[7-fluoro-1-(2-methoxyethyl)-4-(trifluoromethoxy)indole-3-carbonyl]piperidin-4-yl]phenyl]methyl]acetamide
CID 159170341
[2-cyclopropyl-6-(trifluoromethyl)spiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]-[4-(2-hydroxy-2-methylpropoxy)-3-methylphenyl]methanone;molecular hydrogen;(4-propan-2-yloxyphenyl)-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone;quinolin-8-yl-[6-(trifluoromethyl)spiro[3,4-dihydro-2H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-1'-yl]methanone
CID 159199226
5-(4-benzylpiperidine-1-carbonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-indole-3-carboxamide;5-(4-benzylpiperidine-1-carbonyl)-N-[(4-fluorophenyl)methyl]-1H-indole-3-carboxamide;[3-(4-benzylpiperidine-1-carbonyl)-1H-indol-5-yl]-(4-benzylpiperidin-1-yl)methanone;1-[5-(4-benzylpiperidine-1-carbonyl)-1H-indol-3-yl]-2,2,2-trifluoroethanone
CID 159533361
1-[1-[3-(4-Benzoylpiperidin-1-yl)propyl]-6-methoxyindol-3-yl]ethanone;1-[1-[4-(4-butylpiperidin-1-yl)butyl]indol-3-yl]ethanone;1-[1-[3-(4-butylpiperidin-1-yl)propyl]indol-3-yl]propan-1-one;1-[1-[3-(6-methoxy-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl)propyl]indol-3-yl]-3-methylbutan-1-one;1-[1-[2-methyl-3-[4-(1-phenylethyl)piperazin-1-yl]propyl]indol-3-yl]ethanone;2,2,2-trifluoro-1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone
CID 159700021
1-[(1S)-1-methyl-1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridin-7-yl]-4-phenylmethoxypyridin-2-one;1-[(3S)-3-methyl-1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridin-7-yl]-4-phenylmethoxypyridin-2-one;1-[(1S)-1-methyl-1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridin-7-yl]-4-(pyridin-2-ylmethoxy)pyridin-2-one;1-[(3S)-3-methyl-1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridin-7-yl]-4-(pyridin-2-ylmethoxy)pyridin-2-one;4-phenylmethoxy-1-(2-propan-2-yl-3,4-dihydro-1H-[1]benzofuro[3,2-c]pyridin-7-yl)pyridin-2-one;1-(1,2,3,4-tetrahydro-[1]benzofuro[3,2-c]pyridin-7-yl)-4-[[6-(trifluoromethyl)-2-pyridinyl]methoxy]pyridin-2-one
CID 160187579
1-[1'-(4-cyclohexylbenzoyl)-3,3-dimethylspiro[2,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2,2-trifluoroethanone;1-[1'-[4-methoxy-3-(trifluoromethyl)benzoyl]-2-methylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]-2,2-dimethylpropan-1-one;molecular hydrogen;2,2,2-trifluoro-1-[1'-(2-fluoro-4-methoxybenzoyl)-2,4,4-trimethylspiro[3H-pyrrolo[1,2-a]pyrazine-1,4'-piperidine]-7-yl]ethanone;2,2,2-trifluoro-1-[(3R)-1'-(2-fluoro-4-propan-2-yloxybenzoyl)-2,3-dimethylspiro[3,4-dihydropyrrolo[1,2-a]pyrazine-1,4'-piperidine]-6-yl]ethanone
CID 161083494
1-[1-[3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)propyl]-7-methoxyindol-3-yl]ethanone;1-[7-methoxy-1-[3-(4-morpholin-4-ylpiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[7-methoxy-1-[3-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]indol-3-yl]ethanone;1-[7-methyl-1-[3-(2-phenoxyethylamino)propyl]indol-3-yl]ethanone
CID 161132411
[6-[2-(aminomethyl)-7-(4-fluorophenyl)-1-benzofuran-5-yl]-3-pyridinyl]-(4,4-difluoropiperidin-1-yl)methanone;3-[5-[5-(4,4-difluoropiperidine-1-carbonyl)-2-pyridinyl]-7-(4-fluorophenyl)-1-benzofuran-2-yl]-1-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)propan-1-one;2,3-dihydro-1H-pyrrolo[3,4-c]pyridine
CID 161171190

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-(4-hexylidenepiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indol-3-yl]ethanone;N-[(3-methylphenyl)methyl]-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide?
The IUPAC name of 1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-(4-hexylidenepiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indol-3-yl]ethanone;N-[(3-methylphenyl)methyl]-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide (CID 159645670) is 1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-(4-hexylidenepiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indol-3-yl]ethanone;N-[(3-methylphenyl)methyl]-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide.
What is the SMILES notation for 1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-(4-hexylidenepiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indol-3-yl]ethanone;N-[(3-methylphenyl)methyl]-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide?
The canonical SMILES for 1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-(4-hexylidenepiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indol-3-yl]ethanone;N-[(3-methylphenyl)methyl]-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide is CC(=O)c1cn(CCCN2CCC(Oc3ccc(F)cc3)CC2)c2ccccc12.CCCCCC=C1CCN(CCCn2cc(C(C)=O)c3ccccc32)CC1.COc1ccccc1C1CCN(CCCn2cc(C(C)=O)c3ccccc32)CC1.Cc1cccc(CNC(=O)c2cn(CCCN3C4CCC3CC(CCc3ccccc3)C4)c3ccccc23)c1.
What is the InChIKey of 1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-(4-hexylidenepiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indol-3-yl]ethanone;N-[(3-methylphenyl)methyl]-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide?
The InChIKey is MQXPPZGKCJSZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H41N3O.C25H30N2O2.C24H27FN2O2.C24H34N2O/c1-26-9-7-12-29(21-26)24-36-35(39)33-25-37(34-14-6-5-13-32(33)34)19-8-20-38-30-17-18-31(38)23-28(22-30)16-15-27-10-3-2-4-11-27;1-19(28)23-18-27(24-10-5-3-9-22(23)24)15-7-14-26-16-12-20(13-17-26)21-8-4-6-11-25(21)29-2;1-18(28)23-17-27(24-6-3-2-5-22(23)24)14-4-13-26-15-11-21(12-16-26)29-20-9-7-19(25)8-10-20;1-3-4-5-6-10-21-13-17-25(18-14-21)15-9-16-26-19-23(20(2)27)22-11-7-8-12-24(22)26/h2-7,9-14,21,25,28,30-31H,8,15-20,22-24H2,1H3,(H,36,39);3-6,8-11,18,20H,7,12-17H2,1-2H3;2-3,5-10,17,21H,4,11-16H2,1H3;7-8,10-12,19H,3-6,9,13-18H2,1-2H3.
What are the key properties of 1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-(4-hexylidenepiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indol-3-yl]ethanone;N-[(3-methylphenyl)methyl]-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide?
1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-(4-hexylidenepiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indol-3-yl]ethanone;N-[(3-methylphenyl)methyl]-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide has a molecular weight of 1671.30 g/mol, XLogP of 23.02, 33 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-[4-(4-fluorophenoxy)piperidin-1-yl]propyl]indol-3-yl]ethanone;1-[1-[3-(4-hexylidenepiperidin-1-yl)propyl]indol-3-yl]ethanone;1-[1-[3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]indol-3-yl]ethanone;N-[(3-methylphenyl)methyl]-1-[3-[3-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]indole-3-carboxamide is sourced from PubChem (CID 159645670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).