3-(dimethylamino)-N-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]propanamide;2-fluoro-N-[[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]acetamide;N-[[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]-3-hydroxypropanamide;N-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]-3-piperidin-1-ylpropanamide;N-[[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]propanamide;oxalic acid

C137H167F6N17O18 — CID 160847073

IUPAC3-(dimethylamino)-N-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]propanamide;2-fluoro-N-[[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]acetamide;N-[[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]-3-hydroxypropanamide;N-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]-3-piperidin-1-ylpropanamide;N-[[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]propanamide;oxalic acid
SMILESCCC(=O)NCc1ccc2ccn(C3CCN(CCc4ccccc4F)CC3)c2c1.CN(C)CCC(=O)NCc1ccc2ccn(C3CCN(CCc4ccc(F)cc4)CC3)c2c1.O=C(CCN1CCCCC1)NCc1ccc2ccn(C3CCN(CCc4ccc(F)cc4)CC3)c2c1.O=C(CCO)NCc1ccc2ccn(C3CCN(CCc4ccccc4F)CC3)c2c1.O=C(CF)NCc1ccc2ccn(C3CCN(CCc4ccccc4F)CC3)c2c1.O=C(O)C(=O)O.O=C(O)C(=O)O.O=C(O)C(=O)O
InChIInChI=1S/C30H39FN4O.C27H35FN4O.C25H30FN3O2.C25H30FN3O.C24H27F2N3O.3C2H2O4/c31-27-8-5-24(6-9-27)10-17-34-18-12-28(13-19-34)35-21-11-26-7-4-25(22-29(26)35)23-32-30(36)14-20-33-15-2-1-3-16-33;1-30(2)14-13-27(33)29-20-22-3-6-23-10-18-32(26(23)19-22)25-11-16-31(17-12-25)15-9-21-4-7-24(28)8-5-21;26-23-4-2-1-3-20(23)7-12-28-13-9-22(10-14-28)29-15-8-21-6-5-19(17-24(21)29)18-27-25(31)11-16-30;1-2-25(30)27-18-19-7-8-21-10-16-29(24(21)17-19)22-11-14-28(15-12-22)13-9-20-5-3-4-6-23(20)26;25-16-24(30)27-17-18-5-6-20-8-14-29(23(20)15-18)21-9-12-28(13-10-21)11-7-19-3-1-2-4-22(19)26;3*3-1(4)2(5)6/h4-9,11,21-22,28H,1-3,10,12-20,23H2,(H,32,36);3-8,10,18-19,25H,9,11-17,20H2,1-2H3,(H,29,33);1-6,8,15,17,22,30H,7,9-14,16,18H2,(H,27,31);3-8,10,16-17,22H,2,9,11-15,18H2,1H3,(H,27,30);1-6,8,14-15,21H,7,9-13,16-17H2,(H,27,30);3*(H,3,4)(H,5,6)
InChIKeyRBIYLPLYPYHDTF-UHFFFAOYSA-N
MW2453.93 g/mol
LogP19.44
Rot. Bonds40

About 3-(dimethylamino)-N-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]propanamide;2-fluoro-N-[[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]acetamide;N-[[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]-3-hydroxypropanamide;N-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]-3-piperidin-1-ylpropanamide;N-[[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]propanamide;oxalic acid

3-(dimethylamino)-N-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]propanamide;2-fluoro-N-[[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]acetamide;N-[[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]-3-hydroxypropanamide;N-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]-3-piperidin-1-ylpropanamide;N-[[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]propanamide;oxalic acid (PubChem CID 160847073) has the molecular formula C137H167F6N17O18 and a molecular weight of 2453.93 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]propanamide;2-fluoro-N-[[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]acetamide;N-[[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]-3-hydroxypropanamide;N-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]-3-piperidin-1-ylpropanamide;N-[[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]propanamide;oxalic acid.

Molecular Properties

Compound Name3-(dimethylamino)-N-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]propanamide;2-fluoro-N-[[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]acetamide;N-[[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]-3-hydroxypropanamide;N-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]-3-piperidin-1-ylpropanamide;N-[[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]propanamide;oxalic acid
PubChem CID160847073
Molecular FormulaC137H167F6N17O18
Molecular Weight2453.93 g/mol
Exact Mass2452.26
IUPAC Name3-(dimethylamino)-N-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]propanamide;2-fluoro-N-[[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]acetamide;N-[[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]-3-hydroxypropanamide;N-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]-3-piperidin-1-ylpropanamide;N-[[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]propanamide;oxalic acid
SMILESCCC(=O)NCc1ccc2ccn(C3CCN(CCc4ccccc4F)CC3)c2c1.CN(C)CCC(=O)NCc1ccc2ccn(C3CCN(CCc4ccc(F)cc4)CC3)c2c1.O=C(CCN1CCCCC1)NCc1ccc2ccn(C3CCN(CCc4ccc(F)cc4)CC3)c2c1.O=C(CCO)NCc1ccc2ccn(C3CCN(CCc4ccccc4F)CC3)c2c1.O=C(CF)NCc1ccc2ccn(C3CCN(CCc4ccccc4F)CC3)c2c1.O=C(O)C(=O)O.O=C(O)C(=O)O.O=C(O)C(=O)O
InChIInChI=1S/C30H39FN4O.C27H35FN4O.C25H30FN3O2.C25H30FN3O.C24H27F2N3O.3C2H2O4/c31-27-8-5-24(6-9-27)10-17-34-18-12-28(13-19-34)35-21-11-26-7-4-25(22-29(26)35)23-32-30(36)14-20-33-15-2-1-3-16-33;1-30(2)14-13-27(33)29-20-22-3-6-23-10-18-32(26(23)19-22)25-11-16-31(17-12-25)15-9-21-4-7-24(28)8-5-21;26-23-4-2-1-3-20(23)7-12-28-13-9-22(10-14-28)29-15-8-21-6-5-19(17-24(21)29)18-27-25(31)11-16-30;1-2-25(30)27-18-19-7-8-21-10-16-29(24(21)17-19)22-11-14-28(15-12-22)13-9-20-5-3-4-6-23(20)26;25-16-24(30)27-17-18-5-6-20-8-14-29(23(20)15-18)21-9-12-28(13-10-21)11-7-19-3-1-2-4-22(19)26;3*3-1(4)2(5)6/h4-9,11,21-22,28H,1-3,10,12-20,23H2,(H,32,36);3-8,10,18-19,25H,9,11-17,20H2,1-2H3,(H,29,33);1-6,8,15,17,22,30H,7,9-14,16,18H2,(H,27,31);3-8,10,16-17,22H,2,9,11-15,18H2,1H3,(H,27,30);1-6,8,14-15,21H,7,9-13,16-17H2,(H,27,30);3*(H,3,4)(H,5,6)
InChIKeyRBIYLPLYPYHDTF-UHFFFAOYSA-N
XLogP19.44
TPSA436.86 Ų
H-Bond Donors12
H-Bond Acceptors24
Rotatable Bonds40
Heavy Atoms178
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002453.93
LogP ≤ 519.44
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze 3-(dimethylamino)-N-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]propanamide;2-fluoro-N-[[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]acetamide;N-[[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]-3-hydroxypropanamide;N-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]-3-piperidin-1-ylpropanamide;N-[[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]propanamide;oxalic acid with MolForge

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Related Compounds

5-(2,2-difluoroethyl)-7-(6-fluoro-3-pyridinyl)pyrido[4,3-b]indole;5-(2-fluoroethyl)-7-(6-fluoro-3-pyridinyl)pyrido[4,3-b]indole;4-fluoro-7-(6-fluoro-3-pyridinyl)-5-methylpyrido[4,3-b]indole;5-(8-fluoro-5-methylpyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;5-(9-fluoro-5-methylpyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;7-(6-fluoro-3-pyridinyl)-5-methylpyrido[4,3-b]indole;7-(6-fluoro-3-pyridinyl)-5H-pyrido[4,3-b]indole;7-(6-fluoro-3-pyridinyl)-5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indole
CID 157145350
(3R,4S)-1-benzyl-3-fluoro-4-(5-fluoro-2-pyridinyl)pyrrolidine-3-carboxylic acid;methyl 1-[2-[(3S,4R)-1-[(3R,4S)-1-benzyl-3-fluoro-4-(5-fluoro-2-pyridinyl)pyrrolidine-3-carbonyl]-4-ethylpyrrolidin-3-yl]-5-(trifluoromethyl)phenyl]piperidine-4-carboxylate;methyl 1-[2-[(3S,4R)-4-ethyl-1-[(3R,4S)-3-fluoro-4-(5-fluoro-2-pyridinyl)pyrrolidine-3-carbonyl]pyrrolidin-3-yl]-5-(trifluoromethyl)phenyl]piperidine-4-carboxylate;methyl 1-[2-[(3S,4R)-4-ethylpyrrolidin-3-yl]-5-(trifluoromethyl)phenyl]piperidine-4-carboxylate
CID 159810385
5-[5-(2,2-difluoroethyl)pyrido[4,3-b]indol-7-yl]-1H-pyridin-2-one;5-[5-(2-fluoroethyl)pyrido[4,3-b]indol-7-yl]-1H-pyridin-2-one;8-fluoro-5-methyl-7-pyridin-3-ylpyrido[4,3-b]indole;9-fluoro-5-methyl-7-pyridin-3-ylpyrido[4,3-b]indole;5-(5-methylpyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;5-(5H-pyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;5-[5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indol-7-yl]-1H-pyridin-2-one
CID 160465750
5-[5-(2,2-difluoroethyl)pyrido[4,3-b]indol-7-yl]-1H-pyridin-2-one;5-(8,9-difluoro-5-methylpyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;5-[5-(2-fluoroethyl)pyrido[4,3-b]indol-7-yl]-1H-pyridin-2-one;9-fluoro-5-methyl-7-pyridin-3-ylpyrido[4,3-b]indole;5-(4-fluoro-5-methylpyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;5-(5-methylpyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;5-(5H-pyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;5-[5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indol-7-yl]-1H-pyridin-2-one
CID 160586188
5-[5-(2,2-difluoroethyl)pyrido[4,3-b]indol-7-yl]-1H-pyridin-2-one;5-(8,9-difluoro-5-methylpyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;5-(4-fluoro-5-methylpyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;5-(8-fluoro-5-methylpyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;5-(9-fluoro-5-methylpyrido[4,3-b]indol-7-yl)-1H-pyridin-2-one;5-[5-(2,2,2-trifluoroethyl)pyrido[4,3-b]indol-7-yl]-1H-pyridin-2-one
CID 161606517
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
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
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
cyclopropyl-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]methanone;1-ethyl-4-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]pyrrolidin-2-one;1-[4-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]piperidin-1-yl]-2-methylpropan-1-one;1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-hydroxyethanone;1-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-methylpropan-1-one
CID 157866067
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;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;1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]-6-(isocyanomethyl)-2,3-dihydroindole;oxalic acid
CID 158079880

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]propanamide;2-fluoro-N-[[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]acetamide;N-[[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]-3-hydroxypropanamide;N-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]-3-piperidin-1-ylpropanamide;N-[[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]propanamide;oxalic acid?
The IUPAC name of 3-(dimethylamino)-N-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]propanamide;2-fluoro-N-[[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]acetamide;N-[[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]-3-hydroxypropanamide;N-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]-3-piperidin-1-ylpropanamide;N-[[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]propanamide;oxalic acid (CID 160847073) is 3-(dimethylamino)-N-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]propanamide;2-fluoro-N-[[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]acetamide;N-[[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]-3-hydroxypropanamide;N-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]-3-piperidin-1-ylpropanamide;N-[[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]propanamide;oxalic acid.
What is the SMILES notation for 3-(dimethylamino)-N-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]propanamide;2-fluoro-N-[[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]acetamide;N-[[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]-3-hydroxypropanamide;N-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]-3-piperidin-1-ylpropanamide;N-[[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]propanamide;oxalic acid?
The canonical SMILES for 3-(dimethylamino)-N-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]propanamide;2-fluoro-N-[[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]acetamide;N-[[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]-3-hydroxypropanamide;N-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]-3-piperidin-1-ylpropanamide;N-[[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]propanamide;oxalic acid is CCC(=O)NCc1ccc2ccn(C3CCN(CCc4ccccc4F)CC3)c2c1.CN(C)CCC(=O)NCc1ccc2ccn(C3CCN(CCc4ccc(F)cc4)CC3)c2c1.O=C(CCN1CCCCC1)NCc1ccc2ccn(C3CCN(CCc4ccc(F)cc4)CC3)c2c1.O=C(CCO)NCc1ccc2ccn(C3CCN(CCc4ccccc4F)CC3)c2c1.O=C(CF)NCc1ccc2ccn(C3CCN(CCc4ccccc4F)CC3)c2c1.O=C(O)C(=O)O.O=C(O)C(=O)O.O=C(O)C(=O)O.
What is the InChIKey of 3-(dimethylamino)-N-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]propanamide;2-fluoro-N-[[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]acetamide;N-[[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]-3-hydroxypropanamide;N-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]-3-piperidin-1-ylpropanamide;N-[[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]propanamide;oxalic acid?
The InChIKey is RBIYLPLYPYHDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39FN4O.C27H35FN4O.C25H30FN3O2.C25H30FN3O.C24H27F2N3O.3C2H2O4/c31-27-8-5-24(6-9-27)10-17-34-18-12-28(13-19-34)35-21-11-26-7-4-25(22-29(26)35)23-32-30(36)14-20-33-15-2-1-3-16-33;1-30(2)14-13-27(33)29-20-22-3-6-23-10-18-32(26(23)19-22)25-11-16-31(17-12-25)15-9-21-4-7-24(28)8-5-21;26-23-4-2-1-3-20(23)7-12-28-13-9-22(10-14-28)29-15-8-21-6-5-19(17-24(21)29)18-27-25(31)11-16-30;1-2-25(30)27-18-19-7-8-21-10-16-29(24(21)17-19)22-11-14-28(15-12-22)13-9-20-5-3-4-6-23(20)26;25-16-24(30)27-17-18-5-6-20-8-14-29(23(20)15-18)21-9-12-28(13-10-21)11-7-19-3-1-2-4-22(19)26;3*3-1(4)2(5)6/h4-9,11,21-22,28H,1-3,10,12-20,23H2,(H,32,36);3-8,10,18-19,25H,9,11-17,20H2,1-2H3,(H,29,33);1-6,8,15,17,22,30H,7,9-14,16,18H2,(H,27,31);3-8,10,16-17,22H,2,9,11-15,18H2,1H3,(H,27,30);1-6,8,14-15,21H,7,9-13,16-17H2,(H,27,30);3*(H,3,4)(H,5,6).
What are the key properties of 3-(dimethylamino)-N-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]propanamide;2-fluoro-N-[[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]acetamide;N-[[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]-3-hydroxypropanamide;N-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]-3-piperidin-1-ylpropanamide;N-[[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]propanamide;oxalic acid?
3-(dimethylamino)-N-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]propanamide;2-fluoro-N-[[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]acetamide;N-[[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]-3-hydroxypropanamide;N-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]-3-piperidin-1-ylpropanamide;N-[[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]propanamide;oxalic acid has a molecular weight of 2453.93 g/mol, XLogP of 19.44, 40 rotatable bonds, 12 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]propanamide;2-fluoro-N-[[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]acetamide;N-[[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]-3-hydroxypropanamide;N-[[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]-3-piperidin-1-ylpropanamide;N-[[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]methyl]propanamide;oxalic acid is sourced from PubChem (CID 160847073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).