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

C108H118N16OS — CID 158297868

IUPACN-(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
SMILESCOc1cccc(CN(c2ccc3[nH]ccc3c2)C2CCNCC2)c1.Cc1ccccc1CN(c1ccc2[nH]ccc2c1)C1CCNCC1.N#Cc1cccc(CN(c2ccc3[nH]ccc3c2)C2CCNCC2)c1.N#Cc1ccccc1CN(c1ccc2[nH]ccc2c1)C1CCNCC1.c1ccc2c(CN(c3ccc4sccc4c3)C3CCNCC3)cccc2c1
InChIInChI=1S/C24H24N2S.2C21H22N4.C21H25N3O.C21H25N3/c1-2-7-23-18(4-1)5-3-6-20(23)17-26(21-10-13-25-14-11-21)22-8-9-24-19(16-22)12-15-27-24;22-14-16-2-1-3-17(12-16)15-25(19-7-9-23-10-8-19)20-4-5-21-18(13-20)6-11-24-21;22-14-17-3-1-2-4-18(17)15-25(19-8-10-23-11-9-19)20-5-6-21-16(13-20)7-12-24-21;1-25-20-4-2-3-16(13-20)15-24(18-8-10-22-11-9-18)19-5-6-21-17(14-19)7-12-23-21;1-16-4-2-3-5-18(16)15-24(19-9-11-22-12-10-19)20-6-7-21-17(14-20)8-13-23-21/h1-9,12,15-16,21,25H,10-11,13-14,17H2;1-6,11-13,19,23-24H,7-10,15H2;1-7,12-13,19,23-24H,8-11,15H2;2-7,12-14,18,22-23H,8-11,15H2,1H3;2-8,13-14,19,22-23H,9-12,15H2,1H3
InChIKeyGMDCBUFLJDMIMS-UHFFFAOYSA-N
MW1688.31 g/mol
LogP21.58
Rot. Bonds21

About 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

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 (PubChem CID 158297868) has the molecular formula C108H118N16OS and a molecular weight of 1688.31 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID158297868
Molecular FormulaC108H118N16OS
Molecular Weight1688.31 g/mol
Exact Mass1686.94
IUPAC NameN-(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
SMILESCOc1cccc(CN(c2ccc3[nH]ccc3c2)C2CCNCC2)c1.Cc1ccccc1CN(c1ccc2[nH]ccc2c1)C1CCNCC1.N#Cc1cccc(CN(c2ccc3[nH]ccc3c2)C2CCNCC2)c1.N#Cc1ccccc1CN(c1ccc2[nH]ccc2c1)C1CCNCC1.c1ccc2c(CN(c3ccc4sccc4c3)C3CCNCC3)cccc2c1
InChIInChI=1S/C24H24N2S.2C21H22N4.C21H25N3O.C21H25N3/c1-2-7-23-18(4-1)5-3-6-20(23)17-26(21-10-13-25-14-11-21)22-8-9-24-19(16-22)12-15-27-24;22-14-16-2-1-3-17(12-16)15-25(19-7-9-23-10-8-19)20-4-5-21-18(13-20)6-11-24-21;22-14-17-3-1-2-4-18(17)15-25(19-8-10-23-11-9-19)20-5-6-21-16(13-20)7-12-24-21;1-25-20-4-2-3-16(13-20)15-24(18-8-10-22-11-9-18)19-5-6-21-17(14-19)7-12-23-21;1-16-4-2-3-5-18(16)15-24(19-9-11-22-12-10-19)20-6-7-21-17(14-20)8-13-23-21/h1-9,12,15-16,21,25H,10-11,13-14,17H2;1-6,11-13,19,23-24H,7-10,15H2;1-7,12-13,19,23-24H,8-11,15H2;2-7,12-14,18,22-23H,8-11,15H2,1H3;2-8,13-14,19,22-23H,9-12,15H2,1H3
InChIKeyGMDCBUFLJDMIMS-UHFFFAOYSA-N
XLogP21.58
TPSA196.32 Ų
H-Bond Donors9
H-Bond Acceptors14
Rotatable Bonds21
Heavy Atoms126
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001688.31
LogP ≤ 521.58
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1014

Analyze 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 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

N-(1-benzothiophen-5-yl)-N-(1-phenylethyl)piperidin-4-amine;N-[(2-chlorophenyl)methyl]-N-piperidin-4-yl-1H-indol-5-amine;N-[(4-fluorophenyl)methyl]-N-piperidin-4-yl-1H-indol-5-amine;N-piperidin-4-yl-N-[[3-(trifluoromethoxy)phenyl]methyl]-1H-indol-5-amine;N-piperidin-4-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indol-5-amine
CID 157523363
N-(1-benzothiophen-5-yl)-N-(cyclopropylmethyl)piperidin-4-amine;N-(1-benzothiophen-5-yl)-N-(naphthalen-1-ylmethyl)piperidin-4-amine;N-(1-benzothiophen-5-yl)-N-(naphthalen-2-ylmethyl)piperidin-4-amine;N-[(3-fluorophenyl)methyl]-N-piperidin-4-yl-1H-indol-5-amine;N-[(4-fluorophenyl)methyl]-N-piperidin-4-yl-1H-indol-5-amine;N-piperidin-4-yl-N-[[3-(trifluoromethoxy)phenyl]methyl]-1H-indol-5-amine
CID 161886813
N-(1-benzothiophen-5-yl)-N-(1-phenylethyl)piperidin-4-amine;N-[(2-chlorophenyl)methyl]-N-piperidin-4-yl-1H-indol-5-amine;N-[(2-methylphenyl)methyl]-N-piperidin-4-yl-1H-indol-5-amine;N-(naphthalen-1-ylmethyl)-N-piperidin-4-yl-1H-indol-5-amine;N-piperidin-4-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]-1H-indol-5-amine
CID 161904584
N-(1-benzothiophen-5-yl)-N-(oxan-4-ylmethyl)piperidin-4-amine;N-[(3-fluorophenyl)methyl]-1-methyl-N-piperidin-4-ylindol-5-amine;N-[(3-methoxyphenyl)methyl]-1-methyl-N-piperidin-4-ylindol-5-amine;3-[[(1-methylindol-5-yl)-piperidin-4-ylamino]methyl]benzenesulfonamide
CID 157157698
1-butan-2-yl-2-methoxybenzene;cumene;3,7-diethyl-1H-indole;2,5-diethylpyridine;3-ethyl-9H-carbazole;4-ethyl-9H-carbazole;1-ethylcyclopenta-1,3-diene;3-ethyl-1H-indole;2-ethyl-6-methoxynaphthalene;2-ethyl-1-methylpyrrole;4-ethylpyrene;2-ethylpyridine;3-ethylpyridine;4-ethylpyridine;4-ethyl-3H-pyrrole;3-ethylquinoline;2-ethylthiophene;3-ethylthiophene;1-hexan-2-yl-3,5-dimethylbenzene
CID 158232061
N-(cyclopropylmethyl)-N-piperidin-4-yl-1H-indol-5-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-(naphthalen-2-ylmethyl)-N-piperidin-4-yl-1H-indol-5-amine
CID 159162499
9-ethyl-3-[5-(3-methoxyphenyl)pyrazol-1-yl]carbazole;9-ethyl-3-[5-(3-methylphenyl)pyrazol-1-yl]carbazole;9-ethyl-3-(5-pyridin-3-ylpyrazol-1-yl)carbazole;9-ethyl-3-(5-thiophen-3-ylpyrazol-1-yl)carbazole;3-(5-phenylpyrazol-1-yl)-9H-carbazole
CID 159434537
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cccc(CN(c2ccc3[nH]ccc3c2)C2CCNCC2)c1.Cc1ccccc1CN(c1ccc2[nH]ccc2c1)C1CCNCC1.N#Cc1cccc(CN(c2ccc3[nH]ccc3c2)C2CCNCC2)c1.N#Cc1ccccc1CN(c1ccc2[nH]ccc2c1)C1CCNCC1.c1ccc2c(CN(c3ccc4sccc4c3)C3CCNCC3)cccc2c1.
What is the InChIKey of 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?
The InChIKey is GMDCBUFLJDMIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2S.2C21H22N4.C21H25N3O.C21H25N3/c1-2-7-23-18(4-1)5-3-6-20(23)17-26(21-10-13-25-14-11-21)22-8-9-24-19(16-22)12-15-27-24;22-14-16-2-1-3-17(12-16)15-25(19-7-9-23-10-8-19)20-4-5-21-18(13-20)6-11-24-21;22-14-17-3-1-2-4-18(17)15-25(19-8-10-23-11-9-19)20-5-6-21-16(13-20)7-12-24-21;1-25-20-4-2-3-16(13-20)15-24(18-8-10-22-11-9-18)19-5-6-21-17(14-19)7-12-23-21;1-16-4-2-3-5-18(16)15-24(19-9-11-22-12-10-19)20-6-7-21-17(14-20)8-13-23-21/h1-9,12,15-16,21,25H,10-11,13-14,17H2;1-6,11-13,19,23-24H,7-10,15H2;1-7,12-13,19,23-24H,8-11,15H2;2-7,12-14,18,22-23H,8-11,15H2,1H3;2-8,13-14,19,22-23H,9-12,15H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 1688.31 g/mol, XLogP of 21.58, 21 rotatable bonds, 9 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158297868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).