(2S)-1-(5-methoxyindol-1-yl)-N,N-dimethylpentan-2-amine;5-methoxy-1-[[(2S)-1-methylpiperidin-2-yl]methyl]indole;5-methoxy-1-[[(2R)-1-methylpiperidin-2-yl]methyl]indole;5-methoxy-1-[[(2S)-1-methylpyrrolidin-2-yl]methyl]indole

C63H88N8O4 — CID 167691320

IUPAC(2S)-1-(5-methoxyindol-1-yl)-N,N-dimethylpentan-2-amine;5-methoxy-1-[[(2S)-1-methylpiperidin-2-yl]methyl]indole;5-methoxy-1-[[(2R)-1-methylpiperidin-2-yl]methyl]indole;5-methoxy-1-[[(2S)-1-methylpyrrolidin-2-yl]methyl]indole
SMILESCCC[C@@H](Cn1ccc2cc(OC)ccc21)N(C)C.COc1ccc2c(ccn2C[C@@H]2CCCCN2C)c1.COc1ccc2c(ccn2C[C@@H]2CCCN2C)c1.COc1ccc2c(ccn2C[C@H]2CCCCN2C)c1
InChIInChI=1S/2C16H22N2O.C16H24N2O.C15H20N2O/c2*1-17-9-4-3-5-14(17)12-18-10-8-13-11-15(19-2)6-7-16(13)18;1-5-6-14(17(2)3)12-18-10-9-13-11-15(19-4)7-8-16(13)18;1-16-8-3-4-13(16)11-17-9-7-12-10-14(18-2)5-6-15(12)17/h2*6-8,10-11,14H,3-5,9,12H2,1-2H3;7-11,14H,5-6,12H2,1-4H3;5-7,9-10,13H,3-4,8,11H2,1-2H3/t3*14-;13-/m1000/s1
InChIKeyWZMJOMJLRKXERS-QSNCMPMPSA-N
MW1021.45 g/mol
LogP12.39
Rot. Bonds15

About (2S)-1-(5-methoxyindol-1-yl)-N,N-dimethylpentan-2-amine;5-methoxy-1-[[(2S)-1-methylpiperidin-2-yl]methyl]indole;5-methoxy-1-[[(2R)-1-methylpiperidin-2-yl]methyl]indole;5-methoxy-1-[[(2S)-1-methylpyrrolidin-2-yl]methyl]indole

(2S)-1-(5-methoxyindol-1-yl)-N,N-dimethylpentan-2-amine;5-methoxy-1-[[(2S)-1-methylpiperidin-2-yl]methyl]indole;5-methoxy-1-[[(2R)-1-methylpiperidin-2-yl]methyl]indole;5-methoxy-1-[[(2S)-1-methylpyrrolidin-2-yl]methyl]indole (PubChem CID 167691320) has the molecular formula C63H88N8O4 and a molecular weight of 1021.45 g/mol. Its IUPAC name is (2S)-1-(5-methoxyindol-1-yl)-N,N-dimethylpentan-2-amine;5-methoxy-1-[[(2S)-1-methylpiperidin-2-yl]methyl]indole;5-methoxy-1-[[(2R)-1-methylpiperidin-2-yl]methyl]indole;5-methoxy-1-[[(2S)-1-methylpyrrolidin-2-yl]methyl]indole.

Molecular Properties

Compound Name(2S)-1-(5-methoxyindol-1-yl)-N,N-dimethylpentan-2-amine;5-methoxy-1-[[(2S)-1-methylpiperidin-2-yl]methyl]indole;5-methoxy-1-[[(2R)-1-methylpiperidin-2-yl]methyl]indole;5-methoxy-1-[[(2S)-1-methylpyrrolidin-2-yl]methyl]indole
PubChem CID167691320
Molecular FormulaC63H88N8O4
Molecular Weight1021.45 g/mol
Exact Mass1020.69
IUPAC Name(2S)-1-(5-methoxyindol-1-yl)-N,N-dimethylpentan-2-amine;5-methoxy-1-[[(2S)-1-methylpiperidin-2-yl]methyl]indole;5-methoxy-1-[[(2R)-1-methylpiperidin-2-yl]methyl]indole;5-methoxy-1-[[(2S)-1-methylpyrrolidin-2-yl]methyl]indole
SMILESCCC[C@@H](Cn1ccc2cc(OC)ccc21)N(C)C.COc1ccc2c(ccn2C[C@@H]2CCCCN2C)c1.COc1ccc2c(ccn2C[C@@H]2CCCN2C)c1.COc1ccc2c(ccn2C[C@H]2CCCCN2C)c1
InChIInChI=1S/2C16H22N2O.C16H24N2O.C15H20N2O/c2*1-17-9-4-3-5-14(17)12-18-10-8-13-11-15(19-2)6-7-16(13)18;1-5-6-14(17(2)3)12-18-10-9-13-11-15(19-4)7-8-16(13)18;1-16-8-3-4-13(16)11-17-9-7-12-10-14(18-2)5-6-15(12)17/h2*6-8,10-11,14H,3-5,9,12H2,1-2H3;7-11,14H,5-6,12H2,1-4H3;5-7,9-10,13H,3-4,8,11H2,1-2H3/t3*14-;13-/m1000/s1
InChIKeyWZMJOMJLRKXERS-QSNCMPMPSA-N
XLogP12.39
TPSA69.60 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds15
Heavy Atoms75
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001021.45
LogP ≤ 512.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze (2S)-1-(5-methoxyindol-1-yl)-N,N-dimethylpentan-2-amine;5-methoxy-1-[[(2S)-1-methylpiperidin-2-yl]methyl]indole;5-methoxy-1-[[(2R)-1-methylpiperidin-2-yl]methyl]indole;5-methoxy-1-[[(2S)-1-methylpyrrolidin-2-yl]methyl]indole with MolForge

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Related Compounds

6-methoxy-2-[5-(6-methoxy-9H-pyrido[3,4-b]indol-2-ium-2-yl)pentyl]-9H-pyrido[3,4-b]indol-2-ium dibromide
CID 46222675
5-methoxy-3-[3-[4-[3-(5-methoxy-1H-indol-3-yl)propyl]piperazin-1-yl]propyl]-1H-indole
CID 72734841
3-[3-[4-[3-(1H-indol-3-yl)propyl]piperazin-1-yl]propyl]-5-methoxy-1H-indole
CID 72734845
8-Methoxy-5-[9-(8-methoxypyrido[4,3-b]indol-5-yl)nonyl]pyrido[4,3-b]indole
CID 122186422
8-Methoxy-5-[9-(8-methoxy-2-methylpyrido[4,3-b]indol-2-ium-5-yl)nonyl]-2-methylpyrido[4,3-b]indol-2-ium diiodide
CID 122186431
8-methoxy-5-[9-(8-methoxy-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)nonyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 122186443
1H-Pyrido(4,3-b)indole, 2,3,4,5-tetrahydro-2-heptyl-8-methoxy-5-(2-(6-methyl-3-pyridyl)ethyl)-
CID 209930
9-Benzyl-2-[4-(9-benzyl-7-methoxy-1-methylpyrido[3,4-b]indol-2-ium-2-yl)butyl]-7-methoxy-1-methylpyrido[3,4-b]indol-2-ium dibromide
CID 127045957
1H-Indole, 5-methoxy-1-(phenylmethyl)-3-(2-(4-phenyl-1-piperazinyl)ethyl)-
CID 121046
10-Methoxy-2-[2-[4-[1-[2-(10-methoxy-7-methylpyrido[4,3-c]carbazol-2-ium-2-yl)ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]-7-methylpyrido[4,3-c]carbazol-2-ium dichloride
CID 10101942
10-Methoxy-3-[2-[4-[1-[2-(10-methoxy-7-methylpyrido[3,4-c]carbazol-3-ium-3-yl)ethyl]piperidin-4-yl]piperidin-1-yl]ethyl]-7-methylpyrido[3,4-c]carbazol-3-ium dichloride
CID 15921313
5-Methoxy-3-[(5-methoxy-1-methyl-indol-3-yl)methyl]-1-methyl-indole
CID 44441479

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(5-methoxyindol-1-yl)-N,N-dimethylpentan-2-amine;5-methoxy-1-[[(2S)-1-methylpiperidin-2-yl]methyl]indole;5-methoxy-1-[[(2R)-1-methylpiperidin-2-yl]methyl]indole;5-methoxy-1-[[(2S)-1-methylpyrrolidin-2-yl]methyl]indole?
The IUPAC name of (2S)-1-(5-methoxyindol-1-yl)-N,N-dimethylpentan-2-amine;5-methoxy-1-[[(2S)-1-methylpiperidin-2-yl]methyl]indole;5-methoxy-1-[[(2R)-1-methylpiperidin-2-yl]methyl]indole;5-methoxy-1-[[(2S)-1-methylpyrrolidin-2-yl]methyl]indole (CID 167691320) is (2S)-1-(5-methoxyindol-1-yl)-N,N-dimethylpentan-2-amine;5-methoxy-1-[[(2S)-1-methylpiperidin-2-yl]methyl]indole;5-methoxy-1-[[(2R)-1-methylpiperidin-2-yl]methyl]indole;5-methoxy-1-[[(2S)-1-methylpyrrolidin-2-yl]methyl]indole.
What is the SMILES notation for (2S)-1-(5-methoxyindol-1-yl)-N,N-dimethylpentan-2-amine;5-methoxy-1-[[(2S)-1-methylpiperidin-2-yl]methyl]indole;5-methoxy-1-[[(2R)-1-methylpiperidin-2-yl]methyl]indole;5-methoxy-1-[[(2S)-1-methylpyrrolidin-2-yl]methyl]indole?
The canonical SMILES for (2S)-1-(5-methoxyindol-1-yl)-N,N-dimethylpentan-2-amine;5-methoxy-1-[[(2S)-1-methylpiperidin-2-yl]methyl]indole;5-methoxy-1-[[(2R)-1-methylpiperidin-2-yl]methyl]indole;5-methoxy-1-[[(2S)-1-methylpyrrolidin-2-yl]methyl]indole is CCC[C@@H](Cn1ccc2cc(OC)ccc21)N(C)C.COc1ccc2c(ccn2C[C@@H]2CCCCN2C)c1.COc1ccc2c(ccn2C[C@@H]2CCCN2C)c1.COc1ccc2c(ccn2C[C@H]2CCCCN2C)c1.
What is the InChIKey of (2S)-1-(5-methoxyindol-1-yl)-N,N-dimethylpentan-2-amine;5-methoxy-1-[[(2S)-1-methylpiperidin-2-yl]methyl]indole;5-methoxy-1-[[(2R)-1-methylpiperidin-2-yl]methyl]indole;5-methoxy-1-[[(2S)-1-methylpyrrolidin-2-yl]methyl]indole?
The InChIKey is WZMJOMJLRKXERS-QSNCMPMPSA-N. The full InChI is InChI=1S/2C16H22N2O.C16H24N2O.C15H20N2O/c2*1-17-9-4-3-5-14(17)12-18-10-8-13-11-15(19-2)6-7-16(13)18;1-5-6-14(17(2)3)12-18-10-9-13-11-15(19-4)7-8-16(13)18;1-16-8-3-4-13(16)11-17-9-7-12-10-14(18-2)5-6-15(12)17/h2*6-8,10-11,14H,3-5,9,12H2,1-2H3;7-11,14H,5-6,12H2,1-4H3;5-7,9-10,13H,3-4,8,11H2,1-2H3/t3*14-;13-/m1000/s1.
What are the key properties of (2S)-1-(5-methoxyindol-1-yl)-N,N-dimethylpentan-2-amine;5-methoxy-1-[[(2S)-1-methylpiperidin-2-yl]methyl]indole;5-methoxy-1-[[(2R)-1-methylpiperidin-2-yl]methyl]indole;5-methoxy-1-[[(2S)-1-methylpyrrolidin-2-yl]methyl]indole?
(2S)-1-(5-methoxyindol-1-yl)-N,N-dimethylpentan-2-amine;5-methoxy-1-[[(2S)-1-methylpiperidin-2-yl]methyl]indole;5-methoxy-1-[[(2R)-1-methylpiperidin-2-yl]methyl]indole;5-methoxy-1-[[(2S)-1-methylpyrrolidin-2-yl]methyl]indole has a molecular weight of 1021.45 g/mol, XLogP of 12.39, 15 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(5-methoxyindol-1-yl)-N,N-dimethylpentan-2-amine;5-methoxy-1-[[(2S)-1-methylpiperidin-2-yl]methyl]indole;5-methoxy-1-[[(2R)-1-methylpiperidin-2-yl]methyl]indole;5-methoxy-1-[[(2S)-1-methylpyrrolidin-2-yl]methyl]indole is sourced from PubChem (CID 167691320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).