N-ethyl-2-(6-methoxy-1-methylindol-3-yl)-N-(piperidin-4-ylmethyl)ethanamine

C20H31N3O — CID 70328373

IUPACN-ethyl-2-(6-methoxy-1-methylindol-3-yl)-N-(piperidin-4-ylmethyl)ethanamine
SMILESCCN(CCc1cn(C)c2cc(OC)ccc12)CC1CCNCC1
InChIInChI=1S/C20H31N3O/c1-4-23(14-16-7-10-21-11-8-16)12-9-17-15-22(2)20-13-18(24-3)5-6-19(17)20/h5-6,13,15-16,21H,4,7-12,14H2,1-3H3
InChIKeyQGUBUCUKNBPFOV-UHFFFAOYSA-N
MW329.49 g/mol
LogP3.05
Rot. Bonds7

About N-ethyl-2-(6-methoxy-1-methylindol-3-yl)-N-(piperidin-4-ylmethyl)ethanamine

N-ethyl-2-(6-methoxy-1-methylindol-3-yl)-N-(piperidin-4-ylmethyl)ethanamine (PubChem CID 70328373) has the molecular formula C20H31N3O and a molecular weight of 329.49 g/mol. Its IUPAC name is N-ethyl-2-(6-methoxy-1-methylindol-3-yl)-N-(piperidin-4-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(6-methoxy-1-methylindol-3-yl)-N-(piperidin-4-ylmethyl)ethanamine
PubChem CID70328373
Molecular FormulaC20H31N3O
Molecular Weight329.49 g/mol
Exact Mass329.25
IUPAC NameN-ethyl-2-(6-methoxy-1-methylindol-3-yl)-N-(piperidin-4-ylmethyl)ethanamine
SMILESCCN(CCc1cn(C)c2cc(OC)ccc12)CC1CCNCC1
InChIInChI=1S/C20H31N3O/c1-4-23(14-16-7-10-21-11-8-16)12-9-17-15-22(2)20-13-18(24-3)5-6-19(17)20/h5-6,13,15-16,21H,4,7-12,14H2,1-3H3
InChIKeyQGUBUCUKNBPFOV-UHFFFAOYSA-N
XLogP3.05
TPSA29.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methoxy-1-methyl-3-(piperazin-2-ylmethyl)indole
CID 84637870
3-(6-methoxy-1-methylindol-3-yl)propan-1-ol
CID 82278635
N-[(3,5-dimethoxyphenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 79700398
2-[4-[[ethyl-[2-(6-methoxy-1-propylindol-3-yl)ethyl]amino]methyl]piperidin-1-yl]-N-hydroxypyrimidine-5-carboxamide;1-fluoro-2-hydroperoxyethyne;dihydrofluoride
CID 160609102
5-methoxy-1-methyl-3-(2-piperazin-1-ylethyl)indole
CID 95432828
methyl 3-(6-methoxy-1-methylindol-3-yl)propanoate
CID 71520642
N-[(5-fluoro-2-methoxyphenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 79717050
1-ethyl-6-methoxy-3-(3-piperazin-1-ylpropyl)indole
CID 83949003
2-[ethyl(piperidin-4-ylmethyl)amino]-N-(3-methoxyphenyl)acetamide;hydrochloride
CID 119929477
6-methoxy-3-(piperidin-4-ylmethyl)-1H-indole
CID 82497673
2-[2-[ethyl(piperidin-4-ylmethyl)amino]ethoxy]ethanol
CID 79717125
N-ethyl-4-methoxy-N-(piperidin-4-ylmethyl)butan-1-amine
CID 104648606

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(6-methoxy-1-methylindol-3-yl)-N-(piperidin-4-ylmethyl)ethanamine?
The IUPAC name of N-ethyl-2-(6-methoxy-1-methylindol-3-yl)-N-(piperidin-4-ylmethyl)ethanamine (CID 70328373) is N-ethyl-2-(6-methoxy-1-methylindol-3-yl)-N-(piperidin-4-ylmethyl)ethanamine.
What is the SMILES notation for N-ethyl-2-(6-methoxy-1-methylindol-3-yl)-N-(piperidin-4-ylmethyl)ethanamine?
The canonical SMILES for N-ethyl-2-(6-methoxy-1-methylindol-3-yl)-N-(piperidin-4-ylmethyl)ethanamine is CCN(CCc1cn(C)c2cc(OC)ccc12)CC1CCNCC1.
What is the InChIKey of N-ethyl-2-(6-methoxy-1-methylindol-3-yl)-N-(piperidin-4-ylmethyl)ethanamine?
The InChIKey is QGUBUCUKNBPFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O/c1-4-23(14-16-7-10-21-11-8-16)12-9-17-15-22(2)20-13-18(24-3)5-6-19(17)20/h5-6,13,15-16,21H,4,7-12,14H2,1-3H3.
What are the key properties of N-ethyl-2-(6-methoxy-1-methylindol-3-yl)-N-(piperidin-4-ylmethyl)ethanamine?
N-ethyl-2-(6-methoxy-1-methylindol-3-yl)-N-(piperidin-4-ylmethyl)ethanamine has a molecular weight of 329.49 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(6-methoxy-1-methylindol-3-yl)-N-(piperidin-4-ylmethyl)ethanamine is sourced from PubChem (CID 70328373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).