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

C125H140N20O5S3 — CID 160720743

IUPACN-(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
SMILESN#Cc1cccc(CN(c2ccc3[nH]ncc3c2)C2CCNCC2)c1.N#Cc1cccc(CN(c2ccc3sc(C(N)=O)cc3c2)C2CCNCC2)c1.NC(=O)c1cccc(CN(c2ccc3sccc3c2)C2CCNCC2)c1.O=C(O)c1cccc(CN(c2ccc3sccc3c2)C2CCNCC2)c1.c1cc2cc(N(CC3CCOCC3)C3CCNCC3)ccc2[nH]1.c1ccc(CN(c2ccc3[nH]ccc3c2)C2CC3CCC(C2)N3)cc1
InChIInChI=1S/C22H22N4OS.C22H25N3.C21H23N3OS.C21H22N2O2S.C20H21N5.C19H27N3O/c23-13-15-2-1-3-16(10-15)14-26(18-6-8-25-9-7-18)19-4-5-20-17(11-19)12-21(28-20)22(24)27;1-2-4-16(5-3-1)15-25(21-13-18-6-7-19(14-21)24-18)20-8-9-22-17(12-20)10-11-23-22;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;24-21(25)17-3-1-2-15(12-17)14-23(18-6-9-22-10-7-18)19-4-5-20-16(13-19)8-11-26-20;21-12-15-2-1-3-16(10-15)14-25(18-6-8-22-9-7-18)19-4-5-20-17(11-19)13-23-24-20;1-2-19-16(3-10-21-19)13-18(1)22(17-4-8-20-9-5-17)14-15-6-11-23-12-7-15/h1-5,10-12,18,25H,6-9,14H2,(H2,24,27);1-5,8-12,18-19,21,23-24H,6-7,13-15H2;1-5,8,11-13,18,23H,6-7,9-10,14H2,(H2,22,25);1-5,8,11-13,18,22H,6-7,9-10,14H2,(H,24,25);1-5,10-11,13,18,22H,6-9,14H2,(H,23,24);1-3,10,13,15,17,20-21H,4-9,11-12,14H2
InChIKeyRTBLJBQQBZLUGX-UHFFFAOYSA-N
MW2098.83 g/mol
LogP22.55
Rot. Bonds27

About 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

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 (PubChem CID 160720743) has the molecular formula C125H140N20O5S3 and a molecular weight of 2098.83 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID160720743
Molecular FormulaC125H140N20O5S3
Molecular Weight2098.83 g/mol
Exact Mass2097.05
IUPAC NameN-(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
SMILESN#Cc1cccc(CN(c2ccc3[nH]ncc3c2)C2CCNCC2)c1.N#Cc1cccc(CN(c2ccc3sc(C(N)=O)cc3c2)C2CCNCC2)c1.NC(=O)c1cccc(CN(c2ccc3sccc3c2)C2CCNCC2)c1.O=C(O)c1cccc(CN(c2ccc3sccc3c2)C2CCNCC2)c1.c1cc2cc(N(CC3CCOCC3)C3CCNCC3)ccc2[nH]1.c1ccc(CN(c2ccc3[nH]ccc3c2)C2CC3CCC(C2)N3)cc1
InChIInChI=1S/C22H22N4OS.C22H25N3.C21H23N3OS.C21H22N2O2S.C20H21N5.C19H27N3O/c23-13-15-2-1-3-16(10-15)14-26(18-6-8-25-9-7-18)19-4-5-20-17(11-19)12-21(28-20)22(24)27;1-2-4-16(5-3-1)15-25(21-13-18-6-7-19(14-21)24-18)20-8-9-22-17(12-20)10-11-23-22;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;24-21(25)17-3-1-2-15(12-17)14-23(18-6-9-22-10-7-18)19-4-5-20-16(13-19)8-11-26-20;21-12-15-2-1-3-16(10-15)14-25(18-6-8-22-9-7-18)19-4-5-20-17(11-19)13-23-24-20;1-2-19-16(3-10-21-19)13-18(1)22(17-4-8-20-9-5-17)14-15-6-11-23-12-7-15/h1-5,10-12,18,25H,6-9,14H2,(H2,24,27);1-5,8-12,18-19,21,23-24H,6-7,13-15H2;1-5,8,11-13,18,23H,6-7,9-10,14H2,(H2,22,25);1-5,8,11-13,18,22H,6-7,9-10,14H2,(H,24,25);1-5,10-11,13,18,22H,6-9,14H2,(H,23,24);1-3,10,13,15,17,20-21H,4-9,11-12,14H2
InChIKeyRTBLJBQQBZLUGX-UHFFFAOYSA-N
XLogP22.55
TPSA332.17 Ų
H-Bond Donors12
H-Bond Acceptors22
Rotatable Bonds27
Heavy Atoms153
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002098.83
LogP ≤ 522.55
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1022

Analyze 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 with MolForge

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-N-benzyl-1H-indol-5-amine;3-[[1-benzothiophen-5-yl(cyclohexyl)amino]methyl]benzoic acid;5-[benzyl(piperidin-4-yl)amino]-1H-indole-3-carbonitrile;5-[(3-cyanophenyl)methyl-cyclohexylamino]-1-benzothiophene-2-carboxamide;N-cyclohexyl-N-(oxan-4-ylmethyl)-1H-indol-5-amine;3-[[1H-indazol-5-yl(piperidin-4-yl)amino]methyl]benzonitrile
CID 158276090
N-(1-benzothiophen-5-yl)-N-benzylpiperidin-4-amine;N-benzyl-N-(1-methylpiperidin-4-yl)-1H-indol-5-amine;5-[benzyl(piperidin-4-yl)amino]-1-benzothiophene-2-carboxamide;bis(N-benzyl-N-piperidin-4-yl-1H-indazol-5-amine);N-(cyclohexylmethyl)-N-(1-methylpiperidin-4-yl)-1H-indol-5-amine
CID 159649602
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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is N#Cc1cccc(CN(c2ccc3[nH]ncc3c2)C2CCNCC2)c1.N#Cc1cccc(CN(c2ccc3sc(C(N)=O)cc3c2)C2CCNCC2)c1.NC(=O)c1cccc(CN(c2ccc3sccc3c2)C2CCNCC2)c1.O=C(O)c1cccc(CN(c2ccc3sccc3c2)C2CCNCC2)c1.c1cc2cc(N(CC3CCOCC3)C3CCNCC3)ccc2[nH]1.c1ccc(CN(c2ccc3[nH]ccc3c2)C2CC3CCC(C2)N3)cc1.
What is the InChIKey of 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?
The InChIKey is RTBLJBQQBZLUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4OS.C22H25N3.C21H23N3OS.C21H22N2O2S.C20H21N5.C19H27N3O/c23-13-15-2-1-3-16(10-15)14-26(18-6-8-25-9-7-18)19-4-5-20-17(11-19)12-21(28-20)22(24)27;1-2-4-16(5-3-1)15-25(21-13-18-6-7-19(14-21)24-18)20-8-9-22-17(12-20)10-11-23-22;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;24-21(25)17-3-1-2-15(12-17)14-23(18-6-9-22-10-7-18)19-4-5-20-16(13-19)8-11-26-20;21-12-15-2-1-3-16(10-15)14-25(18-6-8-22-9-7-18)19-4-5-20-17(11-19)13-23-24-20;1-2-19-16(3-10-21-19)13-18(1)22(17-4-8-20-9-5-17)14-15-6-11-23-12-7-15/h1-5,10-12,18,25H,6-9,14H2,(H2,24,27);1-5,8-12,18-19,21,23-24H,6-7,13-15H2;1-5,8,11-13,18,23H,6-7,9-10,14H2,(H2,22,25);1-5,8,11-13,18,22H,6-7,9-10,14H2,(H,24,25);1-5,10-11,13,18,22H,6-9,14H2,(H,23,24);1-3,10,13,15,17,20-21H,4-9,11-12,14H2.
What are the key properties of 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?
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 has a molecular weight of 2098.83 g/mol, XLogP of 22.55, 27 rotatable bonds, 12 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160720743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).