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;azane;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;2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(2-hydroxyethyl)acetamide;1-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]propan-2-one;oxalic acid

C156H208F5N21O16 — CID 159696040

IUPACN-[(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;azane;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;2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(2-hydroxyethyl)acetamide;1-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]propan-2-one;oxalic acid
SMILESCC(=O)Cc1ccc2ccn(C3CCN(CCc4ccccc4F)CC3)c2c1.CC(=O)N1CCC(CN)CC1.CC(=O)N1CCC(CNC(=O)Cc2ccc3ccn(C4CCN(CCc5ccccc5F)CC4)c3c2)CC1.CCN1CCC(CN)CC1.CCN1CCC(CNC(=O)Cc2ccc3ccn(C4CCN(CCc5ccc(F)cc5)CC4)c3c2)CC1.CCNC(=O)Cc1ccc2ccn(C3CCN(CCc4ccccc4F)CC3)c2c1.N.O=C(Cc1ccc2ccn(C3CCN(CCc4ccccc4F)CC3)c2c1)NCCO.O=C(O)C(=O)O.O=C(O)C(=O)O
InChIInChI=1S/C31H39FN4O2.C31H41FN4O.C25H30FN3O2.C25H30FN3O.C24H27FN2O.C8H16N2O.C8H18N2.2C2H2O4.H3N/c1-23(37)35-17-8-24(9-18-35)22-33-31(38)21-25-6-7-27-11-19-36(30(27)20-25)28-12-15-34(16-13-28)14-10-26-4-2-3-5-29(26)32;1-2-34-15-10-25(11-16-34)23-33-31(37)22-26-3-6-27-12-20-36(30(27)21-26)29-13-18-35(19-14-29)17-9-24-4-7-28(32)8-5-24;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)18-25(31)27-11-16-30;1-2-27-25(30)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;1-18(28)16-19-6-7-21-9-15-27(24(21)17-19)22-10-13-26(14-11-22)12-8-20-4-2-3-5-23(20)25;1-7(11)10-4-2-8(6-9)3-5-10;1-2-10-5-3-8(7-9)4-6-10;2*3-1(4)2(5)6;/h2-7,11,19-20,24,28H,8-10,12-18,21-22H2,1H3,(H,33,38);3-8,12,20-21,25,29H,2,9-11,13-19,22-23H2,1H3,(H,33,37);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);2-7,9,15,17,22H,8,10-14,16H2,1H3;8H,2-6,9H2,1H3;8H,2-7,9H2,1H3;2*(H,3,4)(H,5,6);1H3
InChIKeyUNVHUPLFFWMWJD-UHFFFAOYSA-N
MW2728.50 g/mol
LogP21.42
Rot. Bonds41

About 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;azane;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;2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(2-hydroxyethyl)acetamide;1-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]propan-2-one;oxalic acid

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;azane;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;2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(2-hydroxyethyl)acetamide;1-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]propan-2-one;oxalic acid (PubChem CID 159696040) has the molecular formula C156H208F5N21O16 and a molecular weight of 2728.50 g/mol. Its IUPAC name is 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;azane;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;2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(2-hydroxyethyl)acetamide;1-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]propan-2-one;oxalic acid.

Molecular Properties

Compound NameN-[(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;azane;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;2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(2-hydroxyethyl)acetamide;1-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]propan-2-one;oxalic acid
PubChem CID159696040
Molecular FormulaC156H208F5N21O16
Molecular Weight2728.50 g/mol
Exact Mass2726.60
IUPAC NameN-[(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;azane;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;2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(2-hydroxyethyl)acetamide;1-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]propan-2-one;oxalic acid
SMILESCC(=O)Cc1ccc2ccn(C3CCN(CCc4ccccc4F)CC3)c2c1.CC(=O)N1CCC(CN)CC1.CC(=O)N1CCC(CNC(=O)Cc2ccc3ccn(C4CCN(CCc5ccccc5F)CC4)c3c2)CC1.CCN1CCC(CN)CC1.CCN1CCC(CNC(=O)Cc2ccc3ccn(C4CCN(CCc5ccc(F)cc5)CC4)c3c2)CC1.CCNC(=O)Cc1ccc2ccn(C3CCN(CCc4ccccc4F)CC3)c2c1.N.O=C(Cc1ccc2ccn(C3CCN(CCc4ccccc4F)CC3)c2c1)NCCO.O=C(O)C(=O)O.O=C(O)C(=O)O
InChIInChI=1S/C31H39FN4O2.C31H41FN4O.C25H30FN3O2.C25H30FN3O.C24H27FN2O.C8H16N2O.C8H18N2.2C2H2O4.H3N/c1-23(37)35-17-8-24(9-18-35)22-33-31(38)21-25-6-7-27-11-19-36(30(27)20-25)28-12-15-34(16-13-28)14-10-26-4-2-3-5-29(26)32;1-2-34-15-10-25(11-16-34)23-33-31(37)22-26-3-6-27-12-20-36(30(27)21-26)29-13-18-35(19-14-29)17-9-24-4-7-28(32)8-5-24;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)18-25(31)27-11-16-30;1-2-27-25(30)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;1-18(28)16-19-6-7-21-9-15-27(24(21)17-19)22-10-13-26(14-11-22)12-8-20-4-2-3-5-23(20)25;1-7(11)10-4-2-8(6-9)3-5-10;1-2-10-5-3-8(7-9)4-6-10;2*3-1(4)2(5)6;/h2-7,11,19-20,24,28H,8-10,12-18,21-22H2,1H3,(H,33,38);3-8,12,20-21,25,29H,2,9-11,13-19,22-23H2,1H3,(H,33,37);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);2-7,9,15,17,22H,8,10-14,16H2,1H3;8H,2-6,9H2,1H3;8H,2-7,9H2,1H3;2*(H,3,4)(H,5,6);1H3
InChIKeyUNVHUPLFFWMWJD-UHFFFAOYSA-N
XLogP21.42
TPSA477.89 Ų
H-Bond Donors12
H-Bond Acceptors27
Rotatable Bonds41
Heavy Atoms198
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002728.50
LogP ≤ 521.42
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1027

Computed Properties (RDKit)

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

Analyze 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;azane;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;2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(2-hydroxyethyl)acetamide;1-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]propan-2-one;oxalic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(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
CID 161412711
CID 161412711
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
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
tris((3S,6S,9R,12R)-3-butan-2-yl-6-[(1-methoxyindol-3-yl)methyl]-9-(6-oxoheptyl)-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-(6-oxononyl)-1,4,7-triazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone;5-[(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]pentanoic acid
CID 157664188
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
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
CID 157927940
(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-[(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;azane;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;2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(2-hydroxyethyl)acetamide;1-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]propan-2-one;oxalic acid?
The IUPAC name of 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;azane;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;2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(2-hydroxyethyl)acetamide;1-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]propan-2-one;oxalic acid (CID 159696040) is 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;azane;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;2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(2-hydroxyethyl)acetamide;1-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]propan-2-one;oxalic acid.
What is the SMILES notation for 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;azane;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;2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(2-hydroxyethyl)acetamide;1-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]propan-2-one;oxalic acid?
The canonical SMILES for 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;azane;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;2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(2-hydroxyethyl)acetamide;1-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]propan-2-one;oxalic acid is CC(=O)Cc1ccc2ccn(C3CCN(CCc4ccccc4F)CC3)c2c1.CC(=O)N1CCC(CN)CC1.CC(=O)N1CCC(CNC(=O)Cc2ccc3ccn(C4CCN(CCc5ccccc5F)CC4)c3c2)CC1.CCN1CCC(CN)CC1.CCN1CCC(CNC(=O)Cc2ccc3ccn(C4CCN(CCc5ccc(F)cc5)CC4)c3c2)CC1.CCNC(=O)Cc1ccc2ccn(C3CCN(CCc4ccccc4F)CC3)c2c1.N.O=C(Cc1ccc2ccn(C3CCN(CCc4ccccc4F)CC3)c2c1)NCCO.O=C(O)C(=O)O.O=C(O)C(=O)O.
What is the InChIKey of 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;azane;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;2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(2-hydroxyethyl)acetamide;1-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]propan-2-one;oxalic acid?
The InChIKey is UNVHUPLFFWMWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H39FN4O2.C31H41FN4O.C25H30FN3O2.C25H30FN3O.C24H27FN2O.C8H16N2O.C8H18N2.2C2H2O4.H3N/c1-23(37)35-17-8-24(9-18-35)22-33-31(38)21-25-6-7-27-11-19-36(30(27)20-25)28-12-15-34(16-13-28)14-10-26-4-2-3-5-29(26)32;1-2-34-15-10-25(11-16-34)23-33-31(37)22-26-3-6-27-12-20-36(30(27)21-26)29-13-18-35(19-14-29)17-9-24-4-7-28(32)8-5-24;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)18-25(31)27-11-16-30;1-2-27-25(30)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;1-18(28)16-19-6-7-21-9-15-27(24(21)17-19)22-10-13-26(14-11-22)12-8-20-4-2-3-5-23(20)25;1-7(11)10-4-2-8(6-9)3-5-10;1-2-10-5-3-8(7-9)4-6-10;2*3-1(4)2(5)6;/h2-7,11,19-20,24,28H,8-10,12-18,21-22H2,1H3,(H,33,38);3-8,12,20-21,25,29H,2,9-11,13-19,22-23H2,1H3,(H,33,37);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);2-7,9,15,17,22H,8,10-14,16H2,1H3;8H,2-6,9H2,1H3;8H,2-7,9H2,1H3;2*(H,3,4)(H,5,6);1H3.
What are the key properties of 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;azane;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;2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(2-hydroxyethyl)acetamide;1-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]propan-2-one;oxalic acid?
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;azane;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;2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(2-hydroxyethyl)acetamide;1-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]propan-2-one;oxalic acid has a molecular weight of 2728.50 g/mol, XLogP of 21.42, 41 rotatable bonds, 12 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 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;azane;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;2-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(2-hydroxyethyl)acetamide;1-[1-[1-[2-(2-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]propan-2-one;oxalic acid is sourced from PubChem (CID 159696040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).