2-(3-acetyl-2-methylindol-1-yl)-1-piperidin-1-ylethanone

C18H22N2O2 — CID 3159855

IUPAC2-(3-acetyl-2-methylindol-1-yl)-1-piperidin-1-ylethanone
SMILESCC(=O)c1c(C)n(CC(=O)N2CCCCC2)c2ccccc12
InChIInChI=1S/C18H22N2O2/c1-13-18(14(2)21)15-8-4-5-9-16(15)20(13)12-17(22)19-10-6-3-7-11-19/h4-5,8-9H,3,6-7,10-12H2,1-2H3
InChIKeyRBGSSJQXQYRGEP-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.16
Rot. Bonds3

About 2-(3-acetyl-2-methylindol-1-yl)-1-piperidin-1-ylethanone

2-(3-acetyl-2-methylindol-1-yl)-1-piperidin-1-ylethanone (PubChem CID 3159855) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-(3-acetyl-2-methylindol-1-yl)-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-(3-acetyl-2-methylindol-1-yl)-1-piperidin-1-ylethanone
PubChem CID3159855
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name2-(3-acetyl-2-methylindol-1-yl)-1-piperidin-1-ylethanone
SMILESCC(=O)c1c(C)n(CC(=O)N2CCCCC2)c2ccccc12
InChIInChI=1S/C18H22N2O2/c1-13-18(14(2)21)15-8-4-5-9-16(15)20(13)12-17(22)19-10-6-3-7-11-19/h4-5,8-9H,3,6-7,10-12H2,1-2H3
InChIKeyRBGSSJQXQYRGEP-UHFFFAOYSA-N
XLogP3.16
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-carbazol-9-yl-1-pyrrolidin-1-ylethanone
CID 67925935
4-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)quinolin-2-one
CID 39768041
2-(3-methylindol-1-yl)-1-piperidin-1-ylethanone
CID 49371096
1-(2-oxo-2-piperidin-1-ylethyl)quinazoline-2,4-dione
CID 36865914
1-[2-(azocan-1-yl)-2-oxoethyl]quinazoline-2,4-dione
CID 17437474
1-(azepan-1-yl)-2-(3-methylindazol-1-yl)ethanone
CID 20886096
2-[3-[(4-but-3-ynylpiperazin-1-yl)methyl]-2-methylindol-1-yl]-1-pyrrolidin-1-ylethanone
CID 16673977
1-[2-methyl-1-[(2-methylphenyl)methyl]indol-3-yl]ethanone
CID 143391090
2-(3-bromo-2-methylindol-1-yl)-N-(3-oxo-3-piperidin-1-ylpropyl)acetamide
CID 55853850
1-[2-(3-bromo-2-methylindol-1-yl)acetyl]-N-cyclopropylpiperidine-3-carboxamide
CID 49403554
1-(1-ethyl-2-phenylindol-3-yl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethanone
CID 17441584
2-(1,2-dimethylindol-3-yl)-1-piperidin-1-ylethanone
CID 110768819

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetyl-2-methylindol-1-yl)-1-piperidin-1-ylethanone?
The IUPAC name of 2-(3-acetyl-2-methylindol-1-yl)-1-piperidin-1-ylethanone (CID 3159855) is 2-(3-acetyl-2-methylindol-1-yl)-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-(3-acetyl-2-methylindol-1-yl)-1-piperidin-1-ylethanone?
The canonical SMILES for 2-(3-acetyl-2-methylindol-1-yl)-1-piperidin-1-ylethanone is CC(=O)c1c(C)n(CC(=O)N2CCCCC2)c2ccccc12.
What is the InChIKey of 2-(3-acetyl-2-methylindol-1-yl)-1-piperidin-1-ylethanone?
The InChIKey is RBGSSJQXQYRGEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-13-18(14(2)21)15-8-4-5-9-16(15)20(13)12-17(22)19-10-6-3-7-11-19/h4-5,8-9H,3,6-7,10-12H2,1-2H3.
What are the key properties of 2-(3-acetyl-2-methylindol-1-yl)-1-piperidin-1-ylethanone?
2-(3-acetyl-2-methylindol-1-yl)-1-piperidin-1-ylethanone has a molecular weight of 298.39 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetyl-2-methylindol-1-yl)-1-piperidin-1-ylethanone is sourced from PubChem (CID 3159855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).