N-ethyl-3-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]propanamide;ethyl 3-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]propanoate;ethyl 3-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]prop-2-enoate;2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(2-morpholin-4-ylethyl)acetamide;3-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]propanoic acid;2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide;oxalic acid

C166H199F6N17O22 — CID 161246547

IUPACN-ethyl-3-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]propanamide;ethyl 3-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]propanoate;ethyl 3-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]prop-2-enoate;2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(2-morpholin-4-ylethyl)acetamide;3-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]propanoic acid;2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide;oxalic acid
SMILESCCNC(=O)CCc1ccc2ccn(C3CCN(CCc4ccc(F)cc4)CC3)c2c1.CCOC(=O)C=Cc1ccc2ccn(C3CCN(CCc4ccc(F)cc4)CC3)c2c1.CCOC(=O)CCc1ccc2ccn(C3CCN(CCc4ccc(F)cc4)CC3)c2c1.O=C(Cc1ccc2ccn(C3CCN(CCc4ccc(F)cc4)CC3)c2c1)NCCN1CCCC1.O=C(Cc1ccc2ccn(C3CCN(CCc4ccc(F)cc4)CC3)c2c1)NCCN1CCOCC1.O=C(O)C(=O)O.O=C(O)C(=O)O.O=C(O)C(=O)O.O=C(O)CCc1ccc2ccn(C3CCN(CCc4ccc(F)cc4)CC3)c2c1
InChIInChI=1S/C29H37FN4O2.C29H37FN4O.C26H32FN3O.C26H31FN2O2.C26H29FN2O2.C24H27FN2O2.3C2H2O4/c30-26-5-2-23(3-6-26)7-12-32-13-9-27(10-14-32)34-15-8-25-4-1-24(21-28(25)34)22-29(35)31-11-16-33-17-19-36-20-18-33;30-26-7-4-23(5-8-26)9-16-33-17-11-27(12-18-33)34-19-10-25-6-3-24(21-28(25)34)22-29(35)31-13-20-32-14-1-2-15-32;1-2-28-26(31)10-6-21-3-7-22-12-18-30(25(22)19-21)24-13-16-29(17-14-24)15-11-20-4-8-23(27)9-5-20;2*1-2-31-26(30)10-6-21-3-7-22-12-18-29(25(22)19-21)24-13-16-28(17-14-24)15-11-20-4-8-23(27)9-5-20;25-21-6-2-18(3-7-21)9-13-26-14-11-22(12-15-26)27-16-10-20-5-1-19(17-23(20)27)4-8-24(28)29;3*3-1(4)2(5)6/h1-6,8,15,21,27H,7,9-14,16-20,22H2,(H,31,35);3-8,10,19,21,27H,1-2,9,11-18,20,22H2,(H,31,35);3-5,7-9,12,18-19,24H,2,6,10-11,13-17H2,1H3,(H,28,31);3-5,7-9,12,18-19,24H,2,6,10-11,13-17H2,1H3;3-10,12,18-19,24H,2,11,13-17H2,1H3;1-3,5-7,10,16-17,22H,4,8-9,11-15H2,(H,28,29);3*(H,3,4)(H,5,6)
InChIKeyVRYATDYLXFFURQ-UHFFFAOYSA-N
MW2898.50 g/mol
LogP25.33
Rot. Bonds48

About N-ethyl-3-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]propanamide;ethyl 3-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]propanoate;ethyl 3-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]prop-2-enoate;2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(2-morpholin-4-ylethyl)acetamide;3-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]propanoic acid;2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide;oxalic acid

N-ethyl-3-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]propanamide;ethyl 3-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]propanoate;ethyl 3-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]prop-2-enoate;2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(2-morpholin-4-ylethyl)acetamide;3-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]propanoic acid;2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide;oxalic acid (PubChem CID 161246547) has the molecular formula C166H199F6N17O22 and a molecular weight of 2898.50 g/mol. Its IUPAC name is N-ethyl-3-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]propanamide;ethyl 3-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]propanoate;ethyl 3-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]prop-2-enoate;2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(2-morpholin-4-ylethyl)acetamide;3-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]propanoic acid;2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide;oxalic acid.

Molecular Properties

Compound NameN-ethyl-3-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]propanamide;ethyl 3-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]propanoate;ethyl 3-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]prop-2-enoate;2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(2-morpholin-4-ylethyl)acetamide;3-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]propanoic acid;2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide;oxalic acid
PubChem CID161246547
Molecular FormulaC166H199F6N17O22
Molecular Weight2898.50 g/mol
Exact Mass2896.49
IUPAC NameN-ethyl-3-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]propanamide;ethyl 3-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]propanoate;ethyl 3-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]prop-2-enoate;2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(2-morpholin-4-ylethyl)acetamide;3-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]propanoic acid;2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide;oxalic acid
SMILESCCNC(=O)CCc1ccc2ccn(C3CCN(CCc4ccc(F)cc4)CC3)c2c1.CCOC(=O)C=Cc1ccc2ccn(C3CCN(CCc4ccc(F)cc4)CC3)c2c1.CCOC(=O)CCc1ccc2ccn(C3CCN(CCc4ccc(F)cc4)CC3)c2c1.O=C(Cc1ccc2ccn(C3CCN(CCc4ccc(F)cc4)CC3)c2c1)NCCN1CCCC1.O=C(Cc1ccc2ccn(C3CCN(CCc4ccc(F)cc4)CC3)c2c1)NCCN1CCOCC1.O=C(O)C(=O)O.O=C(O)C(=O)O.O=C(O)C(=O)O.O=C(O)CCc1ccc2ccn(C3CCN(CCc4ccc(F)cc4)CC3)c2c1
InChIInChI=1S/C29H37FN4O2.C29H37FN4O.C26H32FN3O.C26H31FN2O2.C26H29FN2O2.C24H27FN2O2.3C2H2O4/c30-26-5-2-23(3-6-26)7-12-32-13-9-27(10-14-32)34-15-8-25-4-1-24(21-28(25)34)22-29(35)31-11-16-33-17-19-36-20-18-33;30-26-7-4-23(5-8-26)9-16-33-17-11-27(12-18-33)34-19-10-25-6-3-24(21-28(25)34)22-29(35)31-13-20-32-14-1-2-15-32;1-2-28-26(31)10-6-21-3-7-22-12-18-30(25(22)19-21)24-13-16-29(17-14-24)15-11-20-4-8-23(27)9-5-20;2*1-2-31-26(30)10-6-21-3-7-22-12-18-29(25(22)19-21)24-13-16-28(17-14-24)15-11-20-4-8-23(27)9-5-20;25-21-6-2-18(3-7-21)9-13-26-14-11-22(12-15-26)27-16-10-20-5-1-19(17-23(20)27)4-8-24(28)29;3*3-1(4)2(5)6/h1-6,8,15,21,27H,7,9-14,16-20,22H2,(H,31,35);3-8,10,19,21,27H,1-2,9,11-18,20,22H2,(H,31,35);3-5,7-9,12,18-19,24H,2,6,10-11,13-17H2,1H3,(H,28,31);3-5,7-9,12,18-19,24H,2,6,10-11,13-17H2,1H3;3-10,12,18-19,24H,2,11,13-17H2,1H3;1-3,5-7,10,16-17,22H,4,8-9,11-15H2,(H,28,29);3*(H,3,4)(H,5,6)
InChIKeyVRYATDYLXFFURQ-UHFFFAOYSA-N
XLogP25.33
TPSA465.73 Ų
H-Bond Donors10
H-Bond Acceptors29
Rotatable Bonds48
Heavy Atoms211
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002898.50
LogP ≤ 525.33
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-ethyl-3-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]propanamide;ethyl 3-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]propanoate;ethyl 3-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]prop-2-enoate;2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(2-morpholin-4-ylethyl)acetamide;3-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]propanoic acid;2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide;oxalic acid with MolForge

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Related Compounds

[(2R)-2-[[(7S)-7-ethyl-6-[[4-(trifluoromethyl)cyclohexyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carbonyl]amino]-2-(4-methylphenyl)ethyl] carbamate;(7S)-N-[(1R)-2-methoxy-1-(4-methylphenyl)ethyl]-7-propan-2-yl-6-[[4-(trifluoromethyl)cyclohexyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxamide;2-[(2R)-2-(4-methylphenyl)-2-[[(7S)-7-propan-2-yl-6-[[4-(trifluoromethyl)cyclohexyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carbonyl]amino]ethoxy]acetic acid;[(2R)-2-(4-methylphenyl)-2-[[(7S)-7-propan-2-yl-6-[[4-(trifluoromethyl)cyclohexyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carbonyl]amino]ethyl] carbamate
CID 157362422
CID 158619755
CID 158619755
tert-butyl 3-[3-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-1H-indol-5-yl]propanoate;5-[2-[(1S)-1-[[2-(5,6-difluoro-1H-indol-3-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-1-[[2-(5,7-difluoro-1H-indol-3-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]-2-(4-methyl-1H-indol-3-yl)acetamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[6-(trifluoromethyl)-1H-indol-3-yl]acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide
CID 159064491
N-[(1-acetylpiperidin-4-yl)methyl]-2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;1-[4-(aminomethyl)piperidin-1-yl]ethanone;N-ethyl-2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;(1-ethylpiperidin-4-yl)methanamine;N-[(1-ethylpiperidin-4-yl)methyl]-2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-6-(2-hydroperoxyethyl)-2,3-dihydroindole;2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-methylacetamide;oxalic acid
CID 157064984
ethyl 2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-5-yl]-2-oxoacetate;1-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-5-yl]-2-(4-methylpiperazin-1-yl)ethane-1,2-dione;1-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-5-yl]-2-morpholin-4-ylethane-1,2-dione;2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-5-yl]-2-oxoacetamide;2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-5-yl]-2-oxoacetic acid;1-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-5-yl]-2-piperazin-1-ylethane-1,2-dione;methyl 2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-5-yl]-2-oxoacetate;propan-2-yl 2-[3-[4-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1H-indol-5-yl]-2-oxoacetate
CID 157096597
CID 157248397
CID 157248397
CID 157248403
CID 157248403
(2S)-3-(3,5-difluorophenyl)-N-[(3S,9S,13S,15S,19S,22S)-15,19-dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-2-[[2-(1-methylindol-6-yl)acetyl]amino]propanamide;(2S)-3-(3,5-difluorophenyl)-N-[(3S,4S,7S,9S,13S,16S,19S)-16-[(1S)-1-hydroxyethyl]-4,9,13,17-tetramethyl-2,6,12,15,18-pentaoxo-5-oxa-1,11,14,17-tetrazatricyclo[17.3.0.07,11]docosan-3-yl]-2-[[2-(1-methylindol-6-yl)acetyl]amino]propanamide;(2S)-N-[(3S,9S,13S,15S,19S,22S)-15,19-dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]-2-[[2-(1-methylindol-6-yl)acetyl]amino]-3-phenylpropanamide
CID 157330931
6-(chloromethyl)-1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindole;N-(2,3-dihydroxypropyl)-2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]acetic acid;[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-2,3-dihydroindol-6-yl]methanol;2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(pyridin-2-ylmethyl)acetamide;1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-6-(isocyanomethyl)-2,3-dihydroindole;oxalic acid
CID 157598636
N-(2-amino-2-oxoethyl)-2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;N-[2-(dimethylamino)ethyl]-2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;N-(2-fluoroethyl)-2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]acetamide;2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(isocyanomethyl)acetamide;2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-propylacetamide;oxalic acid;hydrate
CID 157762245
hexakis(carbon dioxide);2,3-dimethyl-N-[(1S)-1-(4-methyl-2-pyridinyl)ethyl]-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-N-[(1S)-1-(5-methyl-2-pyridinyl)ethyl]-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-N-[(1S)-1-(5-methyl-3-pyridinyl)ethyl]-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(5-propan-2-yl-2-pyridinyl)ethyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(5-propan-2-yl-3-pyridinyl)ethyl]indole-5-carboxamide;N-[(1S)-1-(2-fluoro-3-methylphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide
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(3S,6S,9R,12R)-3-butan-2-yl-9-(5-hydroxyhexyl)-6-[(1-methoxyindol-3-yl)methyl]-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone;(3S,6S,9R,12R)-3-butan-2-yl-9-(6-hydroxyoctyl)-6-[(1-methoxyindol-3-yl)methyl]-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone;(3S,6S,9R,12R)-3-butan-2-yl-6-[(1-methoxyindol-3-yl)methyl]-9-(5-oxohexyl)-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone;8-[(3S,6S,9R,12R)-3-butan-2-yl-6-[(1-methoxyindol-3-yl)methyl]-2,5,8,11-tetraoxo-1,4,7-triazabicyclo[10.4.0]hexadecan-9-yl]octan-3-yl acetate;ethyl (2S)-2-[[(2S)-3-(1-methoxyindol-3-yl)-2-[[(2R)-8-oxo-2-[2-oxo-2-[(2R)-piperidin-2-yl]ethyl]decanoyl]amino]propanoyl]amino]-3-methylpentanoate
CID 157942120

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]propanamide;ethyl 3-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]propanoate;ethyl 3-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]prop-2-enoate;2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(2-morpholin-4-ylethyl)acetamide;3-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]propanoic acid;2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide;oxalic acid?
The IUPAC name of N-ethyl-3-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]propanamide;ethyl 3-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]propanoate;ethyl 3-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]prop-2-enoate;2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(2-morpholin-4-ylethyl)acetamide;3-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]propanoic acid;2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide;oxalic acid (CID 161246547) is N-ethyl-3-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]propanamide;ethyl 3-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]propanoate;ethyl 3-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]prop-2-enoate;2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(2-morpholin-4-ylethyl)acetamide;3-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]propanoic acid;2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide;oxalic acid.
What is the SMILES notation for N-ethyl-3-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]propanamide;ethyl 3-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]propanoate;ethyl 3-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]prop-2-enoate;2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(2-morpholin-4-ylethyl)acetamide;3-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]propanoic acid;2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide;oxalic acid?
The canonical SMILES for N-ethyl-3-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]propanamide;ethyl 3-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]propanoate;ethyl 3-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]prop-2-enoate;2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(2-morpholin-4-ylethyl)acetamide;3-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]propanoic acid;2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide;oxalic acid is CCNC(=O)CCc1ccc2ccn(C3CCN(CCc4ccc(F)cc4)CC3)c2c1.CCOC(=O)C=Cc1ccc2ccn(C3CCN(CCc4ccc(F)cc4)CC3)c2c1.CCOC(=O)CCc1ccc2ccn(C3CCN(CCc4ccc(F)cc4)CC3)c2c1.O=C(Cc1ccc2ccn(C3CCN(CCc4ccc(F)cc4)CC3)c2c1)NCCN1CCCC1.O=C(Cc1ccc2ccn(C3CCN(CCc4ccc(F)cc4)CC3)c2c1)NCCN1CCOCC1.O=C(O)C(=O)O.O=C(O)C(=O)O.O=C(O)C(=O)O.O=C(O)CCc1ccc2ccn(C3CCN(CCc4ccc(F)cc4)CC3)c2c1.
What is the InChIKey of N-ethyl-3-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]propanamide;ethyl 3-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]propanoate;ethyl 3-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]prop-2-enoate;2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(2-morpholin-4-ylethyl)acetamide;3-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]propanoic acid;2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide;oxalic acid?
The InChIKey is VRYATDYLXFFURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37FN4O2.C29H37FN4O.C26H32FN3O.C26H31FN2O2.C26H29FN2O2.C24H27FN2O2.3C2H2O4/c30-26-5-2-23(3-6-26)7-12-32-13-9-27(10-14-32)34-15-8-25-4-1-24(21-28(25)34)22-29(35)31-11-16-33-17-19-36-20-18-33;30-26-7-4-23(5-8-26)9-16-33-17-11-27(12-18-33)34-19-10-25-6-3-24(21-28(25)34)22-29(35)31-13-20-32-14-1-2-15-32;1-2-28-26(31)10-6-21-3-7-22-12-18-30(25(22)19-21)24-13-16-29(17-14-24)15-11-20-4-8-23(27)9-5-20;2*1-2-31-26(30)10-6-21-3-7-22-12-18-29(25(22)19-21)24-13-16-28(17-14-24)15-11-20-4-8-23(27)9-5-20;25-21-6-2-18(3-7-21)9-13-26-14-11-22(12-15-26)27-16-10-20-5-1-19(17-23(20)27)4-8-24(28)29;3*3-1(4)2(5)6/h1-6,8,15,21,27H,7,9-14,16-20,22H2,(H,31,35);3-8,10,19,21,27H,1-2,9,11-18,20,22H2,(H,31,35);3-5,7-9,12,18-19,24H,2,6,10-11,13-17H2,1H3,(H,28,31);3-5,7-9,12,18-19,24H,2,6,10-11,13-17H2,1H3;3-10,12,18-19,24H,2,11,13-17H2,1H3;1-3,5-7,10,16-17,22H,4,8-9,11-15H2,(H,28,29);3*(H,3,4)(H,5,6).
What are the key properties of N-ethyl-3-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]propanamide;ethyl 3-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]propanoate;ethyl 3-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]prop-2-enoate;2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(2-morpholin-4-ylethyl)acetamide;3-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]propanoic acid;2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide;oxalic acid?
N-ethyl-3-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]propanamide;ethyl 3-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]propanoate;ethyl 3-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]prop-2-enoate;2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(2-morpholin-4-ylethyl)acetamide;3-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]propanoic acid;2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide;oxalic acid has a molecular weight of 2898.50 g/mol, XLogP of 25.33, 48 rotatable bonds, 10 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]propanamide;ethyl 3-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]propanoate;ethyl 3-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]prop-2-enoate;2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(2-morpholin-4-ylethyl)acetamide;3-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]propanoic acid;2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(2-pyrrolidin-1-ylethyl)acetamide;oxalic acid is sourced from PubChem (CID 161246547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).