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

C121H145N19OS2 — CID 159649602

IUPACN-(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
SMILESCN1CCC(N(CC2CCCCC2)c2ccc3[nH]ccc3c2)CC1.CN1CCC(N(Cc2ccccc2)c2ccc3[nH]ccc3c2)CC1.NC(=O)c1cc2cc(N(Cc3ccccc3)C3CCNCC3)ccc2s1.c1ccc(CN(c2ccc3[nH]ncc3c2)C2CCNCC2)cc1.c1ccc(CN(c2ccc3[nH]ncc3c2)C2CCNCC2)cc1.c1ccc(CN(c2ccc3sccc3c2)C2CCNCC2)cc1
InChIInChI=1S/C21H23N3OS.C21H31N3.C21H25N3.C20H22N2S.2C19H22N4/c22-21(25)20-13-16-12-18(6-7-19(16)26-20)24(17-8-10-23-11-9-17)14-15-4-2-1-3-5-15;2*1-23-13-10-19(11-14-23)24(16-17-5-3-2-4-6-17)20-7-8-21-18(15-20)9-12-22-21;1-2-4-16(5-3-1)15-22(18-8-11-21-12-9-18)19-6-7-20-17(14-19)10-13-23-20;2*1-2-4-15(5-3-1)14-23(17-8-10-20-11-9-17)18-6-7-19-16(12-18)13-21-22-19/h1-7,12-13,17,23H,8-11,14H2,(H2,22,25);7-9,12,15,17,19,22H,2-6,10-11,13-14,16H2,1H3;2-9,12,15,19,22H,10-11,13-14,16H2,1H3;1-7,10,13-14,18,21H,8-9,11-12,15H2;2*1-7,12-13,17,20H,8-11,14H2,(H,21,22)
InChIKeyMRJTVMLWKHIBGI-UHFFFAOYSA-N
MW1945.76 g/mol
LogP23.98
Rot. Bonds25

About 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

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 (PubChem CID 159649602) has the molecular formula C121H145N19OS2 and a molecular weight of 1945.76 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID159649602
Molecular FormulaC121H145N19OS2
Molecular Weight1945.76 g/mol
Exact Mass1944.13
IUPAC NameN-(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
SMILESCN1CCC(N(CC2CCCCC2)c2ccc3[nH]ccc3c2)CC1.CN1CCC(N(Cc2ccccc2)c2ccc3[nH]ccc3c2)CC1.NC(=O)c1cc2cc(N(Cc3ccccc3)C3CCNCC3)ccc2s1.c1ccc(CN(c2ccc3[nH]ncc3c2)C2CCNCC2)cc1.c1ccc(CN(c2ccc3[nH]ncc3c2)C2CCNCC2)cc1.c1ccc(CN(c2ccc3sccc3c2)C2CCNCC2)cc1
InChIInChI=1S/C21H23N3OS.C21H31N3.C21H25N3.C20H22N2S.2C19H22N4/c22-21(25)20-13-16-12-18(6-7-19(16)26-20)24(17-8-10-23-11-9-17)14-15-4-2-1-3-5-15;2*1-23-13-10-19(11-14-23)24(16-17-5-3-2-4-6-17)20-7-8-21-18(15-20)9-12-22-21;1-2-4-16(5-3-1)15-22(18-8-11-21-12-9-18)19-6-7-20-17(14-19)10-13-23-20;2*1-2-4-15(5-3-1)14-23(17-8-10-20-11-9-17)18-6-7-19-16(12-18)13-21-22-19/h1-7,12-13,17,23H,8-11,14H2,(H2,22,25);7-9,12,15,17,19,22H,2-6,10-11,13-14,16H2,1H3;2-9,12,15,19,22H,10-11,13-14,16H2,1H3;1-7,10,13-14,18,21H,8-9,11-12,15H2;2*1-7,12-13,17,20H,8-11,14H2,(H,21,22)
InChIKeyMRJTVMLWKHIBGI-UHFFFAOYSA-N
XLogP23.98
TPSA206.07 Ų
H-Bond Donors9
H-Bond Acceptors17
Rotatable Bonds25
Heavy Atoms143
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001945.76
LogP ≤ 523.98
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1017

Analyze 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 with MolForge

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Related Compounds

N-[5-[7-[2-fluoro-5-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]thiophen-3-yl]-3-[4-(5-methylthiophen-2-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]benzamide
CID 145247600
N-[5-[7-[5-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-indol-4-yl]thiophen-3-yl]-3-(4-thiophen-2-yl-1H-indol-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]benzamide
CID 137088630
N-[5-[7-[5-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-indol-4-yl]thiophen-3-yl]-3-(4-thiophen-2-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]benzamide
CID 137102868
N-[5-[7-[4-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]thiophen-2-yl]-3-(4-thiophen-3-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]benzamide
CID 137102985
N-[5-[7-[4-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-indol-4-yl]thiophen-2-yl]-3-(4-thiophen-3-yl-1H-indol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]benzamide
CID 137103176
N-[5-[7-[4-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]thiophen-2-yl]-3-(4-thiophen-3-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]benzamide
CID 145247577
N-[5-[7-[5-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]thiophen-3-yl]-3-(4-thiophen-2-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]benzamide
CID 145247633
N-[5-[7-[4-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-indol-4-yl]thiophen-2-yl]-3-(4-thiophen-3-yl-1H-indol-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide
CID 145248187
N'-[3-(1-benzoylpiperidin-4-yl)-1H-indol-5-yl]thiophene-2-carboximidamide;N'-[3-[1-(methylamino)piperidin-4-yl]-1H-indol-5-yl]thiophene-2-carboximidamide;methyl N'-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indol-5-yl]carbamimidothioate;N'-(3-piperidin-4-yl-1H-indol-5-yl)thiophene-2-carboximidamide;N'-(3-pyridin-4-yl-1H-indol-5-yl)thiophene-2-carboximidamide;N'-[3-[1-(thiophene-2-carboximidoyl)piperidin-4-yl]-1H-indol-5-yl]thiophene-2-carboximidamide
CID 157105803
1-(benzenesulfonyl)-N-benzyl-N-piperidin-4-ylindol-5-amine;N-(1-benzothiophen-5-yl)-N-[(3-methylsulfonylphenyl)methyl]piperidin-4-amine;N-[(3-fluorophenyl)methyl]-N-piperidin-4-yl-1H-indazol-5-amine;3-[[1H-indol-5-yl(piperidin-4-yl)amino]methyl]benzenesulfonamide;N-[(3-methylsulfonylphenyl)methyl]-N-piperidin-4-yl-1H-indol-5-amine
CID 157553490
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[5-(3,5-dimethyl-1H-pyrazol-4-yl)thiophen-3-yl]methanone;3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[5-(1-methylpyrazol-4-yl)thiophen-3-yl]methanone;3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[5-(2-methylpyrazol-3-yl)thiophen-3-yl]methanone;3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[5-(5-methyl-1H-pyrazol-4-yl)thiophen-3-yl]methanone;3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-(5-pyrazol-1-ylthiophen-3-yl)methanone;tris(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[5-(1H-pyrazol-4-yl)thiophen-3-yl]methanone);3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[5-(1H-pyrazol-5-yl)thiophen-3-yl]methanone
CID 157718926
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-ylindazol-5-amine;3-[[1H-indol-5-yl(piperidin-4-yl)amino]methyl]benzamide;3-[[1H-indol-5-yl(piperidin-4-yl)amino]methyl]-N,N-dimethylbenzenesulfonamide;N-[3-[[1H-indol-5-yl(piperidin-4-yl)amino]methyl]phenyl]methanesulfonamide
CID 157812724

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN1CCC(N(CC2CCCCC2)c2ccc3[nH]ccc3c2)CC1.CN1CCC(N(Cc2ccccc2)c2ccc3[nH]ccc3c2)CC1.NC(=O)c1cc2cc(N(Cc3ccccc3)C3CCNCC3)ccc2s1.c1ccc(CN(c2ccc3[nH]ncc3c2)C2CCNCC2)cc1.c1ccc(CN(c2ccc3[nH]ncc3c2)C2CCNCC2)cc1.c1ccc(CN(c2ccc3sccc3c2)C2CCNCC2)cc1.
What is the InChIKey of 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?
The InChIKey is MRJTVMLWKHIBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3OS.C21H31N3.C21H25N3.C20H22N2S.2C19H22N4/c22-21(25)20-13-16-12-18(6-7-19(16)26-20)24(17-8-10-23-11-9-17)14-15-4-2-1-3-5-15;2*1-23-13-10-19(11-14-23)24(16-17-5-3-2-4-6-17)20-7-8-21-18(15-20)9-12-22-21;1-2-4-16(5-3-1)15-22(18-8-11-21-12-9-18)19-6-7-20-17(14-19)10-13-23-20;2*1-2-4-15(5-3-1)14-23(17-8-10-20-11-9-17)18-6-7-19-16(12-18)13-21-22-19/h1-7,12-13,17,23H,8-11,14H2,(H2,22,25);7-9,12,15,17,19,22H,2-6,10-11,13-14,16H2,1H3;2-9,12,15,19,22H,10-11,13-14,16H2,1H3;1-7,10,13-14,18,21H,8-9,11-12,15H2;2*1-7,12-13,17,20H,8-11,14H2,(H,21,22).
What are the key properties of 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?
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 has a molecular weight of 1945.76 g/mol, XLogP of 23.98, 25 rotatable bonds, 9 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159649602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).