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

C104H117N17O — CID 159162499

IUPACN-(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
SMILESCOc1cccc(CN(c2ccc3[nH]ccc3c2)C2CCNCC2)c1.N#Cc1cccc(CN(c2ccc3[nH]ccc3c2)C2CCNCC2)c1.N#Cc1ccccc1CN(c1ccc2[nH]ccc2c1)C1CCNCC1.c1cc2cc(N(CC3CC3)C3CCNCC3)ccc2[nH]1.c1ccc2cc(CN(c3ccc4[nH]ccc4c3)C3CCNCC3)ccc2c1
InChIInChI=1S/C24H25N3.2C21H22N4.C21H25N3O.C17H23N3/c1-2-4-20-15-18(5-6-19(20)3-1)17-27(22-10-12-25-13-11-22)23-7-8-24-21(16-23)9-14-26-24;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;1-2-13(1)12-20(15-6-8-18-9-7-15)16-3-4-17-14(11-16)5-10-19-17/h1-9,14-16,22,25-26H,10-13,17H2;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;3-5,10-11,13,15,18-19H,1-2,6-9,12H2
InChIKeyKKQZPQRFPBISAQ-UHFFFAOYSA-N
MW1621.20 g/mol
LogP19.75
Rot. Bonds21

About 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

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 (PubChem CID 159162499) has the molecular formula C104H117N17O and a molecular weight of 1621.20 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID159162499
Molecular FormulaC104H117N17O
Molecular Weight1621.20 g/mol
Exact Mass1619.96
IUPAC NameN-(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
SMILESCOc1cccc(CN(c2ccc3[nH]ccc3c2)C2CCNCC2)c1.N#Cc1cccc(CN(c2ccc3[nH]ccc3c2)C2CCNCC2)c1.N#Cc1ccccc1CN(c1ccc2[nH]ccc2c1)C1CCNCC1.c1cc2cc(N(CC3CC3)C3CCNCC3)ccc2[nH]1.c1ccc2cc(CN(c3ccc4[nH]ccc4c3)C3CCNCC3)ccc2c1
InChIInChI=1S/C24H25N3.2C21H22N4.C21H25N3O.C17H23N3/c1-2-4-20-15-18(5-6-19(20)3-1)17-27(22-10-12-25-13-11-22)23-7-8-24-21(16-23)9-14-26-24;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;1-2-13(1)12-20(15-6-8-18-9-7-15)16-3-4-17-14(11-16)5-10-19-17/h1-9,14-16,22,25-26H,10-13,17H2;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;3-5,10-11,13,15,18-19H,1-2,6-9,12H2
InChIKeyKKQZPQRFPBISAQ-UHFFFAOYSA-N
XLogP19.75
TPSA212.11 Ų
H-Bond Donors10
H-Bond Acceptors13
Rotatable Bonds21
Heavy Atoms122
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001621.20
LogP ≤ 519.75
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1013

Analyze 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 with MolForge

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Related Compounds

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
5-(3-benzylpyrrolidin-3-yl)-1H-indole-2-carbonitrile;5-[3-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]-1H-indole;5-[[3-(2-phenylethyl)pyrrolidin-3-yl]methyl]-1H-indole
CID 143864208
5-(3-benzylpyrrolidin-3-yl)-1H-indole;5-[(3S)-3-benzylpyrrolidin-3-yl]-1H-indole;5-(3-benzylpyrrolidin-3-yl)-1H-indole-2-carbonitrile;5-(3-benzylpyrrolidin-3-yl)-1-methylindole;5-(1,3-dibenzylpyrrolidin-3-yl)-1H-indole;5-[3-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-1H-indole;5-[3-[(3-methoxyphenyl)methyl]pyrrolidin-3-yl]-1H-indole;5-[3-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-1H-indole
CID 157470234
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
2,8-dimethyl-5-[2-(1-methylindol-5-yl)cyclopenten-1-yl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(E)-2-naphthalen-2-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;2,8-dimethyl-5-[(Z)-2-naphthalen-2-ylprop-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole;5-[(E)-2-(2-methoxy-4-pyridinyl)prop-1-enyl]-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 158546618
6-tert-butyl-5-(2,6-dimethoxyphenyl)-1H-indole;6-tert-butyl-3-ethyl-1H-indole;6-tert-butyl-1H-indole-3-carbonitrile;2-(6-tert-butyl-1H-indol-3-yl)acetonitrile;6-tert-butyl-5-(2-methoxy-4-propan-2-ylphenyl)-1H-indole;6-tert-butyl-3-methyl-1H-indole;6-tert-butyl-5-phenyl-1H-indole;6-tert-butyl-5-pyridin-3-yl-1H-indole
CID 158704960
3-[3-[3,5-Bis[3-(1-phenylindol-3-yl)phenyl]phenyl]phenyl]-1-phenylindole;3-butan-2-yl-1-phenylindole;1-(4-fluorophenyl)-3-[2-[1-(4-fluorophenyl)indol-3-yl]propan-2-yl]indole;4-[3-[2-[1-(4-isocyanophenyl)indol-3-yl]propan-2-yl]indol-1-yl]benzonitrile;1-(4-methoxyphenyl)-3-[2-[1-(4-methylphenyl)indol-3-yl]propan-2-yl]indole;3-[3-methyl-4-[2-methyl-4-(1-phenylindol-3-yl)phenyl]phenyl]-1-phenylindole;2-(1-phenylindol-3-yl)-9-[3-[9-(1-phenylindol-3-yl)-1,10-phenanthrolin-2-yl]phenyl]-1,10-phenanthroline;1-phenyl-3-[7-(1-phenylindol-3-yl)phenanthren-2-yl]indole
CID 159651759
6-(1-anthracen-9-ylethyl)-2-(4-methylphenyl)-1H-indole;6-[1-(4-methoxyphenyl)ethyl]-2-(4-methylphenyl)-1H-indole;2-(4-methylphenyl)-6-[1-(4-phenylphenyl)ethyl]-1H-indole;2-(4-methylphenyl)-6-(1-pyren-1-ylethyl)-1H-indole;2-(4-methylphenyl)-6-(1-pyridin-4-ylethyl)-1H-indole;molecular fluorine;hydrofluoride
CID 160219866
6-tert-butyl-5-(2,6-dimethoxyphenyl)-1H-indole;6-tert-butyl-3-ethyl-1H-indole;6-tert-butyl-1H-indole-3-carbonitrile;2-(6-tert-butyl-1H-indol-3-yl)acetonitrile;6-tert-butyl-3-methyl-1H-indole;6-tert-butyl-5-phenyl-1H-indole;6-tert-butyl-5-(4-propan-2-ylphenyl)-1H-indole;6-tert-butyl-5-pyridin-3-yl-1H-indole
CID 160271191
1-cyclohexylpiperazine;2,3-dihydro-1H-indole;2,3-dihydro-1H-isoindole;N,N-dimethylpyrrolidine-2-carboxamide;4-fluoro-2,3,5,7a-tetrahydro-1H-indole;5-fluoro-2,3-dihydro-1H-indole;7-fluoro-2,3-dihydro-1H-indole;4-fluoro-2,3-dihydro-1H-isoindole;7-fluoro-1,2,3,4-tetrahydroisoquinoline;methane;6-methoxy-1,2,3,4-tetrahydronaphthalene;2-methyl-2,3-dihydro-1H-indole;6-methyl-2,3-dihydro-1H-indole;N-methyl-2-piperazin-1-ylacetamide;1-(2-methylpropyl)piperazine;3-methyl-1,2,3,4-tetrahydroisoquinoline;1-pyrrolidin-2-ylethanone;2,3,4,9-tetrahydro-1H-carbazole;2,3,4,5-tetrahydro-1H-indeno[1,2-c]pyridine;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydroisoquinoline-7-carbonitrile;5,6,7,8-tetrahydro-1,7-naphthyridine
CID 160299746
6-tert-butyl-5-(2,6-dimethoxyphenyl)-1H-indole;6-tert-butyl-1H-indole-3-carbonitrile;2-(6-tert-butyl-1H-indol-3-yl)acetonitrile;6-tert-butyl-3-methyl-1H-indole;6-tert-butyl-5-phenyl-1H-indole;6-tert-butyl-5-(4-propan-2-ylphenyl)-1H-indole;6-tert-butyl-5-pyridin-3-yl-1H-indole
CID 160527184
beryllium;(2E)-2-[2-[(E)-2-(1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-7-yl)ethenyl]-6-methylpyran-4-ylidene]-2-isocyanoacetonitrile;bis(benzo[h]quinolin-1-ium-10-olate);4-carbazol-9-yl-N,N-bis(4-carbazol-9-ylphenyl)aniline
CID 160547180

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cccc(CN(c2ccc3[nH]ccc3c2)C2CCNCC2)c1.N#Cc1cccc(CN(c2ccc3[nH]ccc3c2)C2CCNCC2)c1.N#Cc1ccccc1CN(c1ccc2[nH]ccc2c1)C1CCNCC1.c1cc2cc(N(CC3CC3)C3CCNCC3)ccc2[nH]1.c1ccc2cc(CN(c3ccc4[nH]ccc4c3)C3CCNCC3)ccc2c1.
What is the InChIKey of 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?
The InChIKey is KKQZPQRFPBISAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3.2C21H22N4.C21H25N3O.C17H23N3/c1-2-4-20-15-18(5-6-19(20)3-1)17-27(22-10-12-25-13-11-22)23-7-8-24-21(16-23)9-14-26-24;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;1-2-13(1)12-20(15-6-8-18-9-7-15)16-3-4-17-14(11-16)5-10-19-17/h1-9,14-16,22,25-26H,10-13,17H2;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;3-5,10-11,13,15,18-19H,1-2,6-9,12H2.
What are the key properties of 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?
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 has a molecular weight of 1621.20 g/mol, XLogP of 19.75, 21 rotatable bonds, 10 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159162499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).