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

C17H23N2O+ — CID 7381071

IUPAC1-(2-methyl-1H-indol-3-yl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]ethanone
SMILESCc1[nH]c2ccccc2c1C(=O)C[NH+]1CCC[C@@H](C)C1
InChIInChI=1S/C17H22N2O/c1-12-6-5-9-19(10-12)11-16(20)17-13(2)18-15-8-4-3-7-14(15)17/h3-4,7-8,12,18H,5-6,9-11H2,1-2H3/p+1/t12-/m1/s1
InChIKeyKAEKDAGXGBKJLT-GFCCVEGCSA-O
MW271.38 g/mol
LogP1.97
Rot. Bonds3

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

1-(2-methyl-1H-indol-3-yl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]ethanone (PubChem CID 7381071) has the molecular formula C17H23N2O+ and a molecular weight of 271.38 g/mol. Its IUPAC name is 1-(2-methyl-1H-indol-3-yl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]ethanone.

Molecular Properties

Compound Name1-(2-methyl-1H-indol-3-yl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]ethanone
PubChem CID7381071
Molecular FormulaC17H23N2O+
Molecular Weight271.38 g/mol
Exact Mass271.18
IUPAC Name1-(2-methyl-1H-indol-3-yl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]ethanone
SMILESCc1[nH]c2ccccc2c1C(=O)C[NH+]1CCC[C@@H](C)C1
InChIInChI=1S/C17H22N2O/c1-12-6-5-9-19(10-12)11-16(20)17-13(2)18-15-8-4-3-7-14(15)17/h3-4,7-8,12,18H,5-6,9-11H2,1-2H3/p+1/t12-/m1/s1
InChIKeyKAEKDAGXGBKJLT-GFCCVEGCSA-O
XLogP1.97
TPSA37.30 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1-(2-methyl-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
2-cycloheptyl-1-(2-methyl-1H-indol-3-yl)ethanone
CID 114457307
1-(2-methyl-1H-indol-3-yl)-2-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 920121
2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-1-(2-methyl-1H-indol-3-yl)ethanone chloride
CID 44659793
1-(2,6-dimethyl-1H-indol-3-yl)-2-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-ium-1-yl]ethanone
CID 2025983
1-(2-methyl-1H-indol-3-yl)-3-(oxolan-2-yl)propan-1-one
CID 65154773
N-(2-methylnaphthalen-1-yl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide
CID 7409695
cyclooctyl-(2-methyl-1H-indol-3-yl)methanone
CID 65018781
N-(cyclopropylmethyl)-2-methyl-1H-indole-3-carboxamide
CID 34829550
1-(2-methyl-1H-indol-3-yl)-2-phenylethanone
CID 15577659
2-(dimethylamino)-1-(2-methyl-1H-indol-3-yl)ethanone
CID 804946

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1H-indol-3-yl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]ethanone?
The IUPAC name of 1-(2-methyl-1H-indol-3-yl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]ethanone (CID 7381071) is 1-(2-methyl-1H-indol-3-yl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]ethanone.
What is the SMILES notation for 1-(2-methyl-1H-indol-3-yl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]ethanone?
The canonical SMILES for 1-(2-methyl-1H-indol-3-yl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]ethanone is Cc1[nH]c2ccccc2c1C(=O)C[NH+]1CCC[C@@H](C)C1.
What is the InChIKey of 1-(2-methyl-1H-indol-3-yl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]ethanone?
The InChIKey is KAEKDAGXGBKJLT-GFCCVEGCSA-O. The full InChI is InChI=1S/C17H22N2O/c1-12-6-5-9-19(10-12)11-16(20)17-13(2)18-15-8-4-3-7-14(15)17/h3-4,7-8,12,18H,5-6,9-11H2,1-2H3/p+1/t12-/m1/s1.
What are the key properties of 1-(2-methyl-1H-indol-3-yl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]ethanone?
1-(2-methyl-1H-indol-3-yl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]ethanone has a molecular weight of 271.38 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1H-indol-3-yl)-2-[(3R)-3-methylpiperidin-1-ium-1-yl]ethanone is sourced from PubChem (CID 7381071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).