1-(5-methoxy-1H-indol-3-yl)-2-(4-methylpiperidin-1-yl)ethanone

C17H22N2O2 — CID 663738

IUPAC1-(5-methoxy-1H-indol-3-yl)-2-(4-methylpiperidin-1-yl)ethanone
SMILESCOc1ccc2[nH]cc(C(=O)CN3CCC(C)CC3)c2c1
InChIInChI=1S/C17H22N2O2/c1-12-5-7-19(8-6-12)11-17(20)15-10-18-16-4-3-13(21-2)9-14(15)16/h3-4,9-10,12,18H,5-8,11H2,1-2H3
InChIKeyPYJZXFNBKQHCBQ-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.09
Rot. Bonds4

About 1-(5-methoxy-1H-indol-3-yl)-2-(4-methylpiperidin-1-yl)ethanone

1-(5-methoxy-1H-indol-3-yl)-2-(4-methylpiperidin-1-yl)ethanone (PubChem CID 663738) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-(5-methoxy-1H-indol-3-yl)-2-(4-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(5-methoxy-1H-indol-3-yl)-2-(4-methylpiperidin-1-yl)ethanone
PubChem CID663738
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name1-(5-methoxy-1H-indol-3-yl)-2-(4-methylpiperidin-1-yl)ethanone
SMILESCOc1ccc2[nH]cc(C(=O)CN3CCC(C)CC3)c2c1
InChIInChI=1S/C17H22N2O2/c1-12-5-7-19(8-6-12)11-17(20)15-10-18-16-4-3-13(21-2)9-14(15)16/h3-4,9-10,12,18H,5-8,11H2,1-2H3
InChIKeyPYJZXFNBKQHCBQ-UHFFFAOYSA-N
XLogP3.09
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1-(5-methoxy-1H-indol-3-yl)ethanone
CID 929424
2-[4-(4-methoxyphenyl)-3-methylpiperazin-1-yl]-1-(5-methyl-1H-indol-3-yl)ethanone
CID 3772999
(1R,9S)-11-[2-(5-methoxy-1H-indol-3-yl)-2-oxoethyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 6353423
1-(azepan-1-yl)-2-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]ethanone
CID 47538961
1-(5-methoxy-1H-indol-3-yl)nonan-1-one
CID 65448551
4-chloro-1-(5-methoxy-1H-indol-3-yl)butan-1-one
CID 21469454
3-(5-methoxy-1H-indole-3-carbonyl)cyclopentane-1-carboxylic acid
CID 103551734
2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-1-(5-methyl-1H-indol-3-yl)ethanone
CID 7735516
2-(1-methoxycyclobutyl)-1-(5-methoxy-1H-indol-3-yl)ethanone
CID 103555921
1-(5-methoxy-1H-indol-3-yl)-2-[(3S)-4-(3-methoxyphenyl)-3-methylpiperazin-1-ium-1-yl]ethanone
CID 6582366
1-(1H-indol-3-yl)-2-[4-(4-methoxyphenyl)-3-methylpiperazin-1-yl]ethanone
CID 3641786
2-(5-methoxy-1H-indol-3-yl)-2-oxoacetamide
CID 44719462

Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-1H-indol-3-yl)-2-(4-methylpiperidin-1-yl)ethanone?
The IUPAC name of 1-(5-methoxy-1H-indol-3-yl)-2-(4-methylpiperidin-1-yl)ethanone (CID 663738) is 1-(5-methoxy-1H-indol-3-yl)-2-(4-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 1-(5-methoxy-1H-indol-3-yl)-2-(4-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 1-(5-methoxy-1H-indol-3-yl)-2-(4-methylpiperidin-1-yl)ethanone is COc1ccc2[nH]cc(C(=O)CN3CCC(C)CC3)c2c1.
What is the InChIKey of 1-(5-methoxy-1H-indol-3-yl)-2-(4-methylpiperidin-1-yl)ethanone?
The InChIKey is PYJZXFNBKQHCBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-12-5-7-19(8-6-12)11-17(20)15-10-18-16-4-3-13(21-2)9-14(15)16/h3-4,9-10,12,18H,5-8,11H2,1-2H3.
What are the key properties of 1-(5-methoxy-1H-indol-3-yl)-2-(4-methylpiperidin-1-yl)ethanone?
1-(5-methoxy-1H-indol-3-yl)-2-(4-methylpiperidin-1-yl)ethanone has a molecular weight of 286.38 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-1H-indol-3-yl)-2-(4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 663738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).