1-(2-methyl-1H-indol-3-yl)-2-(4-methylpiperidin-1-yl)ethanone

C17H22N2O — CID 919704

IUPAC1-(2-methyl-1H-indol-3-yl)-2-(4-methylpiperidin-1-yl)ethanone
SMILESCc1[nH]c2ccccc2c1C(=O)CN1CCC(C)CC1
InChIInChI=1S/C17H22N2O/c1-12-7-9-19(10-8-12)11-16(20)17-13(2)18-15-6-4-3-5-14(15)17/h3-6,12,18H,7-11H2,1-2H3
InChIKeyGJUXIAJLOGPNCR-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.39
Rot. Bonds3

About 1-(2-methyl-1H-indol-3-yl)-2-(4-methylpiperidin-1-yl)ethanone

1-(2-methyl-1H-indol-3-yl)-2-(4-methylpiperidin-1-yl)ethanone (PubChem CID 919704) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 1-(2-methyl-1H-indol-3-yl)-2-(4-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(2-methyl-1H-indol-3-yl)-2-(4-methylpiperidin-1-yl)ethanone
PubChem CID919704
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name1-(2-methyl-1H-indol-3-yl)-2-(4-methylpiperidin-1-yl)ethanone
SMILESCc1[nH]c2ccccc2c1C(=O)CN1CCC(C)CC1
InChIInChI=1S/C17H22N2O/c1-12-7-9-19(10-8-12)11-16(20)17-13(2)18-15-6-4-3-5-14(15)17/h3-6,12,18H,7-11H2,1-2H3
InChIKeyGJUXIAJLOGPNCR-UHFFFAOYSA-N
XLogP3.39
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Biriperone
CID 68663
3-Acetylindole
CID 12802
1H-indole-3-carboxamide
CID 2192542
Rhetsinine
CID 99652
Indole, 3-(dimethylaminoacetyl)-
CID 34863
1-(1H-Indol-3-yl)-2-(1-piperidinyl)ethanone
CID 34864
Olinone
CID 91668531
CK-666
CID 589075
2-Chloro-1-(2-methyl-1H-indol-3-yl)ethanone
CID 723221
3-Formyl-2-methylindole
CID 73166
2-(piperazin-1-ylcarbonyl)-1H-indole
CID 921599
2-(1H-indol-3-yl)-2-oxo-N-(2-phenylethyl)acetamide
CID 2176767

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1H-indol-3-yl)-2-(4-methylpiperidin-1-yl)ethanone?
The IUPAC name of 1-(2-methyl-1H-indol-3-yl)-2-(4-methylpiperidin-1-yl)ethanone (CID 919704) is 1-(2-methyl-1H-indol-3-yl)-2-(4-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 1-(2-methyl-1H-indol-3-yl)-2-(4-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 1-(2-methyl-1H-indol-3-yl)-2-(4-methylpiperidin-1-yl)ethanone is Cc1[nH]c2ccccc2c1C(=O)CN1CCC(C)CC1.
What is the InChIKey of 1-(2-methyl-1H-indol-3-yl)-2-(4-methylpiperidin-1-yl)ethanone?
The InChIKey is GJUXIAJLOGPNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-12-7-9-19(10-8-12)11-16(20)17-13(2)18-15-6-4-3-5-14(15)17/h3-6,12,18H,7-11H2,1-2H3.
What are the key properties of 1-(2-methyl-1H-indol-3-yl)-2-(4-methylpiperidin-1-yl)ethanone?
1-(2-methyl-1H-indol-3-yl)-2-(4-methylpiperidin-1-yl)ethanone has a molecular weight of 270.38 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1H-indol-3-yl)-2-(4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 919704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).