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

C16H20N2O — CID 3733485

IUPAC1-(1H-indol-3-yl)-2-(2-methylpiperidin-1-yl)ethanone
SMILESCC1CCCCN1CC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C16H20N2O/c1-12-6-4-5-9-18(12)11-16(19)14-10-17-15-8-3-2-7-13(14)15/h2-3,7-8,10,12,17H,4-6,9,11H2,1H3
InChIKeyLOMXUTDFOIOUKC-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.22
Rot. Bonds3

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

1-(1H-indol-3-yl)-2-(2-methylpiperidin-1-yl)ethanone (PubChem CID 3733485) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-(1H-indol-3-yl)-2-(2-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(1H-indol-3-yl)-2-(2-methylpiperidin-1-yl)ethanone
PubChem CID3733485
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name1-(1H-indol-3-yl)-2-(2-methylpiperidin-1-yl)ethanone
SMILESCC1CCCCN1CC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C16H20N2O/c1-12-6-4-5-9-18(12)11-16(19)14-10-17-15-8-3-2-7-13(14)15/h2-3,7-8,10,12,17H,4-6,9,11H2,1H3
InChIKeyLOMXUTDFOIOUKC-UHFFFAOYSA-N
XLogP3.22
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-ethylazepan-1-yl)-1-(1H-indol-3-yl)ethanone
CID 115642542
1-(1H-indol-3-yl)-2-pyrrolidin-1-ylethanone
CID 913151
2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanone
CID 36880743
1-(2-fluorophenyl)-2-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 2422526
2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(1H-indol-3-yl)ethanone
CID 83137954
2-(3,4-dimethylpiperazin-1-yl)-1-(1H-indol-3-yl)ethanone
CID 63608717
1-[2-(1H-indol-3-yl)-2-oxoethyl]piperidine-3-carboxamide
CID 43226754
1-(1H-indol-3-yl)-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 55432355
2-[cyclobutyl(methyl)amino]-1-(1H-indol-3-yl)ethanone
CID 113246464
1-[2-(1H-indol-3-yl)-2-oxoethyl]piperidin-2-one
CID 14192560
1-[2-(1H-indol-3-yl)ethyl]-3-[4-(2-methylpiperidin-1-yl)butyl]urea
CID 55770071
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(1H-indol-3-yl)ethanone
CID 78950336

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-3-yl)-2-(2-methylpiperidin-1-yl)ethanone?
The IUPAC name of 1-(1H-indol-3-yl)-2-(2-methylpiperidin-1-yl)ethanone (CID 3733485) is 1-(1H-indol-3-yl)-2-(2-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 1-(1H-indol-3-yl)-2-(2-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 1-(1H-indol-3-yl)-2-(2-methylpiperidin-1-yl)ethanone is CC1CCCCN1CC(=O)c1c[nH]c2ccccc12.
What is the InChIKey of 1-(1H-indol-3-yl)-2-(2-methylpiperidin-1-yl)ethanone?
The InChIKey is LOMXUTDFOIOUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-12-6-4-5-9-18(12)11-16(19)14-10-17-15-8-3-2-7-13(14)15/h2-3,7-8,10,12,17H,4-6,9,11H2,1H3.
What are the key properties of 1-(1H-indol-3-yl)-2-(2-methylpiperidin-1-yl)ethanone?
1-(1H-indol-3-yl)-2-(2-methylpiperidin-1-yl)ethanone has a molecular weight of 256.35 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-3-yl)-2-(2-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 3733485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).