1-(6-methoxy-1H-indol-3-yl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]ethanone

C17H23N2O2+ — CID 7561918

IUPAC1-(6-methoxy-1H-indol-3-yl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]ethanone
SMILESCOc1ccc2c(C(=O)C[NH+]3CCC[C@@H](C)C3)c[nH]c2c1
InChIInChI=1S/C17H22N2O2/c1-12-4-3-7-19(10-12)11-17(20)15-9-18-16-8-13(21-2)5-6-14(15)16/h5-6,8-9,12,18H,3-4,7,10-11H2,1-2H3/p+1/t12-/m1/s1
InChIKeyILOXUXWHSPLVRM-GFCCVEGCSA-O
MW287.38 g/mol
LogP1.67
Rot. Bonds4

About 1-(6-methoxy-1H-indol-3-yl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]ethanone

1-(6-methoxy-1H-indol-3-yl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]ethanone (PubChem CID 7561918) has the molecular formula C17H23N2O2+ and a molecular weight of 287.38 g/mol. Its IUPAC name is 1-(6-methoxy-1H-indol-3-yl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]ethanone.

Molecular Properties

Compound Name1-(6-methoxy-1H-indol-3-yl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]ethanone
PubChem CID7561918
Molecular FormulaC17H23N2O2+
Molecular Weight287.38 g/mol
Exact Mass287.18
IUPAC Name1-(6-methoxy-1H-indol-3-yl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]ethanone
SMILESCOc1ccc2c(C(=O)C[NH+]3CCC[C@@H](C)C3)c[nH]c2c1
InChIInChI=1S/C17H22N2O2/c1-12-4-3-7-19(10-12)11-17(20)15-9-18-16-8-13(21-2)5-6-14(15)16/h5-6,8-9,12,18H,3-4,7,10-11H2,1-2H3/p+1/t12-/m1/s1
InChIKeyILOXUXWHSPLVRM-GFCCVEGCSA-O
XLogP1.67
TPSA46.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(6-methoxy-1H-indol-3-yl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]ethanone with MolForge

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Related Compounds

1-(1H-indol-3-yl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethanone
CID 7358174
1-(1H-indol-3-yl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]ethanone
CID 7358173
1-(5-methoxy-1H-indol-3-yl)-2-[(3S)-4-(3-methoxyphenyl)-3-methylpiperazin-1-ium-1-yl]ethanone
CID 6582366
N-butyl-6-methoxy-1H-indole-3-carboxamide
CID 113206507
N-(4-methoxyphenyl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]acetamide
CID 2681839
2-(1,4-dioxa-8-azoniaspiro[4.5]decan-8-yl)-1-(5-methoxy-1H-indol-3-yl)ethanone
CID 7392149
2,2,2-trifluoro-1-(6-methoxy-1H-indol-3-yl)ethanone
CID 22497238
(6-methoxy-1H-indol-3-yl)-piperidin-1-ylmethanone
CID 113206512
1-(5-methoxy-1H-indol-3-yl)-2-(4-methylpiperidin-1-yl)ethanone
CID 663738
6-methoxy-N-[(4-methoxyphenyl)methyl]-1H-indole-3-carboxamide
CID 113206539
7-methoxy-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1H-quinoline-3-carboxamide
CID 51684426
N-[3-(diethylamino)propyl]-7-methoxy-4-oxo-1H-quinoline-3-carboxamide
CID 78323048

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-1H-indol-3-yl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]ethanone?
The IUPAC name of 1-(6-methoxy-1H-indol-3-yl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]ethanone (CID 7561918) is 1-(6-methoxy-1H-indol-3-yl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]ethanone.
What is the SMILES notation for 1-(6-methoxy-1H-indol-3-yl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]ethanone?
The canonical SMILES for 1-(6-methoxy-1H-indol-3-yl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]ethanone is COc1ccc2c(C(=O)C[NH+]3CCC[C@@H](C)C3)c[nH]c2c1.
What is the InChIKey of 1-(6-methoxy-1H-indol-3-yl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]ethanone?
The InChIKey is ILOXUXWHSPLVRM-GFCCVEGCSA-O. The full InChI is InChI=1S/C17H22N2O2/c1-12-4-3-7-19(10-12)11-17(20)15-9-18-16-8-13(21-2)5-6-14(15)16/h5-6,8-9,12,18H,3-4,7,10-11H2,1-2H3/p+1/t12-/m1/s1.
What are the key properties of 1-(6-methoxy-1H-indol-3-yl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]ethanone?
1-(6-methoxy-1H-indol-3-yl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]ethanone has a molecular weight of 287.38 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-1H-indol-3-yl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]ethanone is sourced from PubChem (CID 7561918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).