3-[[1-benzothiophen-5-yl(piperidin-4-yl)amino]methyl]benzamide;N-[(2-fluorophenyl)methyl]-N-piperidin-4-yl-1H-indol-5-amine;4-[[1H-indol-5-yl(piperidin-4-yl)amino]methyl]benzonitrile;N-[(3-methoxyphenyl)methyl]-N-piperidin-4-yl-1H-indazol-5-amine;N-(2-methylpropyl)-N-piperidin-4-yl-1H-indol-5-amine;N-(1-phenylethyl)-N-piperidin-4-yl-1H-indol-5-amine

C120H141FN20O2S — CID 159672344

IUPAC3-[[1-benzothiophen-5-yl(piperidin-4-yl)amino]methyl]benzamide;N-[(2-fluorophenyl)methyl]-N-piperidin-4-yl-1H-indol-5-amine;4-[[1H-indol-5-yl(piperidin-4-yl)amino]methyl]benzonitrile;N-[(3-methoxyphenyl)methyl]-N-piperidin-4-yl-1H-indazol-5-amine;N-(2-methylpropyl)-N-piperidin-4-yl-1H-indol-5-amine;N-(1-phenylethyl)-N-piperidin-4-yl-1H-indol-5-amine
SMILESCC(C)CN(c1ccc2[nH]ccc2c1)C1CCNCC1.CC(c1ccccc1)N(c1ccc2[nH]ccc2c1)C1CCNCC1.COc1cccc(CN(c2ccc3[nH]ncc3c2)C2CCNCC2)c1.Fc1ccccc1CN(c1ccc2[nH]ccc2c1)C1CCNCC1.N#Cc1ccc(CN(c2ccc3[nH]ccc3c2)C2CCNCC2)cc1.NC(=O)c1cccc(CN(c2ccc3sccc3c2)C2CCNCC2)c1
InChIInChI=1S/C21H22N4.C21H23N3OS.C21H25N3.C20H22FN3.C20H24N4O.C17H25N3/c22-14-16-1-3-17(4-2-16)15-25(19-8-10-23-11-9-19)20-5-6-21-18(13-20)7-12-24-21;22-21(25)17-3-1-2-15(12-17)14-24(18-6-9-23-10-7-18)19-4-5-20-16(13-19)8-11-26-20;1-16(17-5-3-2-4-6-17)24(19-10-12-22-13-11-19)20-7-8-21-18(15-20)9-14-23-21;21-19-4-2-1-3-16(19)14-24(17-8-10-22-11-9-17)18-5-6-20-15(13-18)7-12-23-20;1-25-19-4-2-3-15(11-19)14-24(17-7-9-21-10-8-17)18-5-6-20-16(12-18)13-22-23-20;1-13(2)12-20(15-6-8-18-9-7-15)16-3-4-17-14(11-16)5-10-19-17/h1-7,12-13,19,23-24H,8-11,15H2;1-5,8,11-13,18,23H,6-7,9-10,14H2,(H2,22,25);2-9,14-16,19,22-23H,10-13H2,1H3;1-7,12-13,17,22-23H,8-11,14H2;2-6,11-13,17,21H,7-10,14H2,1H3,(H,22,23);3-5,10-11,13,15,18-19H,6-9,12H2,1-2H3
InChIKeyMUDRXUVALRMTJO-UHFFFAOYSA-N
MW1946.65 g/mol
LogP22.82
Rot. Bonds26

About 3-[[1-benzothiophen-5-yl(piperidin-4-yl)amino]methyl]benzamide;N-[(2-fluorophenyl)methyl]-N-piperidin-4-yl-1H-indol-5-amine;4-[[1H-indol-5-yl(piperidin-4-yl)amino]methyl]benzonitrile;N-[(3-methoxyphenyl)methyl]-N-piperidin-4-yl-1H-indazol-5-amine;N-(2-methylpropyl)-N-piperidin-4-yl-1H-indol-5-amine;N-(1-phenylethyl)-N-piperidin-4-yl-1H-indol-5-amine

3-[[1-benzothiophen-5-yl(piperidin-4-yl)amino]methyl]benzamide;N-[(2-fluorophenyl)methyl]-N-piperidin-4-yl-1H-indol-5-amine;4-[[1H-indol-5-yl(piperidin-4-yl)amino]methyl]benzonitrile;N-[(3-methoxyphenyl)methyl]-N-piperidin-4-yl-1H-indazol-5-amine;N-(2-methylpropyl)-N-piperidin-4-yl-1H-indol-5-amine;N-(1-phenylethyl)-N-piperidin-4-yl-1H-indol-5-amine (PubChem CID 159672344) has the molecular formula C120H141FN20O2S and a molecular weight of 1946.65 g/mol. Its IUPAC name is 3-[[1-benzothiophen-5-yl(piperidin-4-yl)amino]methyl]benzamide;N-[(2-fluorophenyl)methyl]-N-piperidin-4-yl-1H-indol-5-amine;4-[[1H-indol-5-yl(piperidin-4-yl)amino]methyl]benzonitrile;N-[(3-methoxyphenyl)methyl]-N-piperidin-4-yl-1H-indazol-5-amine;N-(2-methylpropyl)-N-piperidin-4-yl-1H-indol-5-amine;N-(1-phenylethyl)-N-piperidin-4-yl-1H-indol-5-amine.

Molecular Properties

Compound Name3-[[1-benzothiophen-5-yl(piperidin-4-yl)amino]methyl]benzamide;N-[(2-fluorophenyl)methyl]-N-piperidin-4-yl-1H-indol-5-amine;4-[[1H-indol-5-yl(piperidin-4-yl)amino]methyl]benzonitrile;N-[(3-methoxyphenyl)methyl]-N-piperidin-4-yl-1H-indazol-5-amine;N-(2-methylpropyl)-N-piperidin-4-yl-1H-indol-5-amine;N-(1-phenylethyl)-N-piperidin-4-yl-1H-indol-5-amine
PubChem CID159672344
Molecular FormulaC120H141FN20O2S
Molecular Weight1946.65 g/mol
Exact Mass1945.13
IUPAC Name3-[[1-benzothiophen-5-yl(piperidin-4-yl)amino]methyl]benzamide;N-[(2-fluorophenyl)methyl]-N-piperidin-4-yl-1H-indol-5-amine;4-[[1H-indol-5-yl(piperidin-4-yl)amino]methyl]benzonitrile;N-[(3-methoxyphenyl)methyl]-N-piperidin-4-yl-1H-indazol-5-amine;N-(2-methylpropyl)-N-piperidin-4-yl-1H-indol-5-amine;N-(1-phenylethyl)-N-piperidin-4-yl-1H-indol-5-amine
SMILESCC(C)CN(c1ccc2[nH]ccc2c1)C1CCNCC1.CC(c1ccccc1)N(c1ccc2[nH]ccc2c1)C1CCNCC1.COc1cccc(CN(c2ccc3[nH]ncc3c2)C2CCNCC2)c1.Fc1ccccc1CN(c1ccc2[nH]ccc2c1)C1CCNCC1.N#Cc1ccc(CN(c2ccc3[nH]ccc3c2)C2CCNCC2)cc1.NC(=O)c1cccc(CN(c2ccc3sccc3c2)C2CCNCC2)c1
InChIInChI=1S/C21H22N4.C21H23N3OS.C21H25N3.C20H22FN3.C20H24N4O.C17H25N3/c22-14-16-1-3-17(4-2-16)15-25(19-8-10-23-11-9-19)20-5-6-21-18(13-20)7-12-24-21;22-21(25)17-3-1-2-15(12-17)14-24(18-6-9-23-10-7-18)19-4-5-20-16(13-19)8-11-26-20;1-16(17-5-3-2-4-6-17)24(19-10-12-22-13-11-19)20-7-8-21-18(15-20)9-14-23-21;21-19-4-2-1-3-16(19)14-24(17-8-10-22-11-9-17)18-5-6-20-15(13-18)7-12-23-20;1-25-19-4-2-3-15(11-19)14-24(17-7-9-21-10-8-17)18-5-6-20-16(12-18)13-22-23-20;1-13(2)12-20(15-6-8-18-9-7-15)16-3-4-17-14(11-16)5-10-19-17/h1-7,12-13,19,23-24H,8-11,15H2;1-5,8,11-13,18,23H,6-7,9-10,14H2,(H2,22,25);2-9,14-16,19,22-23H,10-13H2,1H3;1-7,12-13,17,22-23H,8-11,14H2;2-6,11-13,17,21H,7-10,14H2,1H3,(H,22,23);3-5,10-11,13,15,18-19H,6-9,12H2,1-2H3
InChIKeyMUDRXUVALRMTJO-UHFFFAOYSA-N
XLogP22.82
TPSA259.57 Ų
H-Bond Donors12
H-Bond Acceptors17
Rotatable Bonds26
Heavy Atoms144
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001946.65
LogP ≤ 522.82
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1017

Analyze 3-[[1-benzothiophen-5-yl(piperidin-4-yl)amino]methyl]benzamide;N-[(2-fluorophenyl)methyl]-N-piperidin-4-yl-1H-indol-5-amine;4-[[1H-indol-5-yl(piperidin-4-yl)amino]methyl]benzonitrile;N-[(3-methoxyphenyl)methyl]-N-piperidin-4-yl-1H-indazol-5-amine;N-(2-methylpropyl)-N-piperidin-4-yl-1H-indol-5-amine;N-(1-phenylethyl)-N-piperidin-4-yl-1H-indol-5-amine with MolForge

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Related Compounds

N-[(3R,6S)-6-(diethylcarbamoyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-(2-methylindazol-5-yl)-1H-indazole-5-carboxamide;N-[(3R,6S)-6-(diethylcarbamoyl)-1-(thiophen-2-ylmethyl)piperidin-3-yl]-3-(2-methyl-4-pyridinyl)-1H-indazole-5-carboxamide;N-[(3R,6S)-6-(3,3-difluoroazetidine-1-carbonyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-(2-methylindazol-5-yl)-1H-indazole-5-carboxamide;N-[(3R,6S)-6-(dimethylcarbamoyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-3-(2-methylindazol-5-yl)-1H-indazole-5-carboxamide
CID 160482393
1-[3-[4-(5-cyanofuran-2-yl)-1H-indol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-cyclopropyl-1-methylindazol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-[4-(5-fluorofuran-2-yl)-1-methylindazol-3-yl]butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(1-methyl-4-thiophen-2-ylindazol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid;1-[3-(4-thiophen-2-yl-2H-indazol-3-yl)butanoyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-5-carboxylic acid
CID 158154925
N-(1-benzothiophen-5-yl)-N-(naphthalen-1-ylmethyl)piperidin-4-amine;2-[[1H-indol-5-yl(piperidin-4-yl)amino]methyl]benzonitrile;3-[[1H-indol-5-yl(piperidin-4-yl)amino]methyl]benzonitrile;N-[(3-methoxyphenyl)methyl]-N-piperidin-4-yl-1H-indol-5-amine;N-[(2-methylphenyl)methyl]-N-piperidin-4-yl-1H-indol-5-amine
CID 158297868
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-benzyl-1H-indol-5-amine;3-[[1-benzothiophen-5-yl(piperidin-4-yl)amino]methyl]benzoic acid;5-[benzyl(piperidin-4-yl)amino]-1H-indole-3-carbonitrile;5-[(3-cyanophenyl)methyl-piperidin-4-ylamino]-1-benzothiophene-2-carboxamide;3-[[1H-indazol-5-yl(piperidin-4-yl)amino]methyl]benzonitrile;N-(oxan-4-ylmethyl)-N-piperidin-4-yl-1H-indol-5-amine
CID 159988409
3-[[1-benzothiophen-5-yl(piperidin-4-yl)amino]methyl]benzenesulfonamide;N-[3-[[1-benzothiophen-5-yl(piperidin-4-yl)amino]methyl]phenyl]methanesulfonamide;N-[(3-fluorophenyl)methyl]-1-methyl-N-piperidin-4-ylindol-5-amine;3-[[1H-indol-5-yl(piperidin-4-yl)amino]methyl]benzamide;N-[(3-methoxyphenyl)methyl]-1-methyl-N-piperidin-4-ylindol-5-amine
CID 160055966
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-benzyl-1H-indol-5-amine;3-[[1-benzothiophen-5-yl(piperidin-4-yl)amino]methyl]benzamide;3-[[1-benzothiophen-5-yl(piperidin-4-yl)amino]methyl]benzoic acid;5-[(3-cyanophenyl)methyl-piperidin-4-ylamino]-1-benzothiophene-2-carboxamide;3-[[1H-indazol-5-yl(piperidin-4-yl)amino]methyl]benzonitrile;N-(oxan-4-ylmethyl)-N-piperidin-4-yl-1H-indol-5-amine
CID 160720743
N-cyclopropyl-7-fluoro-3-[(E)-2-(6-methoxy-2-pyridinyl)ethenyl]-2H-indazole-5-carboxamide;N-cyclopropyl-7-fluoro-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole-5-carboxamide;N-cyclopropyl-7-fluoro-3-[(E)-2-pyridin-3-ylethenyl]-2H-indazole-5-carboxamide;N-cyclopropyl-7-fluoro-3-[(E)-2-pyridin-4-ylethenyl]-2H-indazole-5-carboxamide;N-cyclopropyl-7-fluoro-3-[(E)-2-thiophen-3-ylethenyl]-2H-indazole-5-carboxamide
CID 161422319
N-[1-(4-cyano-1H-indazol-7-yl)ethyl]-3-ethoxy-4-(3-fluorophenyl)-N-methylbenzamide;4-(4-cyanothiophen-2-yl)-3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;3-ethoxy-N-[[4-(fluoromethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-4-(3-fluorophenyl)-N-methylbenzamide;3-ethoxy-N-[[4-(fluoromethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methyl-4-phenylbenzamide;3-ethoxy-4-(3-fluorophenyl)-N-[[4-(hydroxymethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methylbenzamide
CID 167638245

Frequently Asked Questions

What is the IUPAC name of 3-[[1-benzothiophen-5-yl(piperidin-4-yl)amino]methyl]benzamide;N-[(2-fluorophenyl)methyl]-N-piperidin-4-yl-1H-indol-5-amine;4-[[1H-indol-5-yl(piperidin-4-yl)amino]methyl]benzonitrile;N-[(3-methoxyphenyl)methyl]-N-piperidin-4-yl-1H-indazol-5-amine;N-(2-methylpropyl)-N-piperidin-4-yl-1H-indol-5-amine;N-(1-phenylethyl)-N-piperidin-4-yl-1H-indol-5-amine?
The IUPAC name of 3-[[1-benzothiophen-5-yl(piperidin-4-yl)amino]methyl]benzamide;N-[(2-fluorophenyl)methyl]-N-piperidin-4-yl-1H-indol-5-amine;4-[[1H-indol-5-yl(piperidin-4-yl)amino]methyl]benzonitrile;N-[(3-methoxyphenyl)methyl]-N-piperidin-4-yl-1H-indazol-5-amine;N-(2-methylpropyl)-N-piperidin-4-yl-1H-indol-5-amine;N-(1-phenylethyl)-N-piperidin-4-yl-1H-indol-5-amine (CID 159672344) is 3-[[1-benzothiophen-5-yl(piperidin-4-yl)amino]methyl]benzamide;N-[(2-fluorophenyl)methyl]-N-piperidin-4-yl-1H-indol-5-amine;4-[[1H-indol-5-yl(piperidin-4-yl)amino]methyl]benzonitrile;N-[(3-methoxyphenyl)methyl]-N-piperidin-4-yl-1H-indazol-5-amine;N-(2-methylpropyl)-N-piperidin-4-yl-1H-indol-5-amine;N-(1-phenylethyl)-N-piperidin-4-yl-1H-indol-5-amine.
What is the SMILES notation for 3-[[1-benzothiophen-5-yl(piperidin-4-yl)amino]methyl]benzamide;N-[(2-fluorophenyl)methyl]-N-piperidin-4-yl-1H-indol-5-amine;4-[[1H-indol-5-yl(piperidin-4-yl)amino]methyl]benzonitrile;N-[(3-methoxyphenyl)methyl]-N-piperidin-4-yl-1H-indazol-5-amine;N-(2-methylpropyl)-N-piperidin-4-yl-1H-indol-5-amine;N-(1-phenylethyl)-N-piperidin-4-yl-1H-indol-5-amine?
The canonical SMILES for 3-[[1-benzothiophen-5-yl(piperidin-4-yl)amino]methyl]benzamide;N-[(2-fluorophenyl)methyl]-N-piperidin-4-yl-1H-indol-5-amine;4-[[1H-indol-5-yl(piperidin-4-yl)amino]methyl]benzonitrile;N-[(3-methoxyphenyl)methyl]-N-piperidin-4-yl-1H-indazol-5-amine;N-(2-methylpropyl)-N-piperidin-4-yl-1H-indol-5-amine;N-(1-phenylethyl)-N-piperidin-4-yl-1H-indol-5-amine is CC(C)CN(c1ccc2[nH]ccc2c1)C1CCNCC1.CC(c1ccccc1)N(c1ccc2[nH]ccc2c1)C1CCNCC1.COc1cccc(CN(c2ccc3[nH]ncc3c2)C2CCNCC2)c1.Fc1ccccc1CN(c1ccc2[nH]ccc2c1)C1CCNCC1.N#Cc1ccc(CN(c2ccc3[nH]ccc3c2)C2CCNCC2)cc1.NC(=O)c1cccc(CN(c2ccc3sccc3c2)C2CCNCC2)c1.
What is the InChIKey of 3-[[1-benzothiophen-5-yl(piperidin-4-yl)amino]methyl]benzamide;N-[(2-fluorophenyl)methyl]-N-piperidin-4-yl-1H-indol-5-amine;4-[[1H-indol-5-yl(piperidin-4-yl)amino]methyl]benzonitrile;N-[(3-methoxyphenyl)methyl]-N-piperidin-4-yl-1H-indazol-5-amine;N-(2-methylpropyl)-N-piperidin-4-yl-1H-indol-5-amine;N-(1-phenylethyl)-N-piperidin-4-yl-1H-indol-5-amine?
The InChIKey is MUDRXUVALRMTJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4.C21H23N3OS.C21H25N3.C20H22FN3.C20H24N4O.C17H25N3/c22-14-16-1-3-17(4-2-16)15-25(19-8-10-23-11-9-19)20-5-6-21-18(13-20)7-12-24-21;22-21(25)17-3-1-2-15(12-17)14-24(18-6-9-23-10-7-18)19-4-5-20-16(13-19)8-11-26-20;1-16(17-5-3-2-4-6-17)24(19-10-12-22-13-11-19)20-7-8-21-18(15-20)9-14-23-21;21-19-4-2-1-3-16(19)14-24(17-8-10-22-11-9-17)18-5-6-20-15(13-18)7-12-23-20;1-25-19-4-2-3-15(11-19)14-24(17-7-9-21-10-8-17)18-5-6-20-16(12-18)13-22-23-20;1-13(2)12-20(15-6-8-18-9-7-15)16-3-4-17-14(11-16)5-10-19-17/h1-7,12-13,19,23-24H,8-11,15H2;1-5,8,11-13,18,23H,6-7,9-10,14H2,(H2,22,25);2-9,14-16,19,22-23H,10-13H2,1H3;1-7,12-13,17,22-23H,8-11,14H2;2-6,11-13,17,21H,7-10,14H2,1H3,(H,22,23);3-5,10-11,13,15,18-19H,6-9,12H2,1-2H3.
What are the key properties of 3-[[1-benzothiophen-5-yl(piperidin-4-yl)amino]methyl]benzamide;N-[(2-fluorophenyl)methyl]-N-piperidin-4-yl-1H-indol-5-amine;4-[[1H-indol-5-yl(piperidin-4-yl)amino]methyl]benzonitrile;N-[(3-methoxyphenyl)methyl]-N-piperidin-4-yl-1H-indazol-5-amine;N-(2-methylpropyl)-N-piperidin-4-yl-1H-indol-5-amine;N-(1-phenylethyl)-N-piperidin-4-yl-1H-indol-5-amine?
3-[[1-benzothiophen-5-yl(piperidin-4-yl)amino]methyl]benzamide;N-[(2-fluorophenyl)methyl]-N-piperidin-4-yl-1H-indol-5-amine;4-[[1H-indol-5-yl(piperidin-4-yl)amino]methyl]benzonitrile;N-[(3-methoxyphenyl)methyl]-N-piperidin-4-yl-1H-indazol-5-amine;N-(2-methylpropyl)-N-piperidin-4-yl-1H-indol-5-amine;N-(1-phenylethyl)-N-piperidin-4-yl-1H-indol-5-amine has a molecular weight of 1946.65 g/mol, XLogP of 22.82, 26 rotatable bonds, 12 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-benzothiophen-5-yl(piperidin-4-yl)amino]methyl]benzamide;N-[(2-fluorophenyl)methyl]-N-piperidin-4-yl-1H-indol-5-amine;4-[[1H-indol-5-yl(piperidin-4-yl)amino]methyl]benzonitrile;N-[(3-methoxyphenyl)methyl]-N-piperidin-4-yl-1H-indazol-5-amine;N-(2-methylpropyl)-N-piperidin-4-yl-1H-indol-5-amine;N-(1-phenylethyl)-N-piperidin-4-yl-1H-indol-5-amine is sourced from PubChem (CID 159672344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).