1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]indole-3-carbonitrile

C18H21N3O — CID 3145522

IUPAC1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]indole-3-carbonitrile
SMILESCC1CCCC(C)N1C(=O)Cn1cc(C#N)c2ccccc21
InChIInChI=1S/C18H21N3O/c1-13-6-5-7-14(2)21(13)18(22)12-20-11-15(10-19)16-8-3-4-9-17(16)20/h3-4,8-9,11,13-14H,5-7,12H2,1-2H3
InChIKeyODLUVKIDPKHFKE-UHFFFAOYSA-N
MW295.39 g/mol
LogP3.30
Rot. Bonds2

About 1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]indole-3-carbonitrile

1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]indole-3-carbonitrile (PubChem CID 3145522) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]indole-3-carbonitrile.

Molecular Properties

Compound Name1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]indole-3-carbonitrile
PubChem CID3145522
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]indole-3-carbonitrile
SMILESCC1CCCC(C)N1C(=O)Cn1cc(C#N)c2ccccc21
InChIInChI=1S/C18H21N3O/c1-13-6-5-7-14(2)21(13)18(22)12-20-11-15(10-19)16-8-3-4-9-17(16)20/h3-4,8-9,11,13-14H,5-7,12H2,1-2H3
InChIKeyODLUVKIDPKHFKE-UHFFFAOYSA-N
XLogP3.30
TPSA49.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]indole-3-carbonitrile?
The IUPAC name of 1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]indole-3-carbonitrile (CID 3145522) is 1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]indole-3-carbonitrile.
What is the SMILES notation for 1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]indole-3-carbonitrile?
The canonical SMILES for 1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]indole-3-carbonitrile is CC1CCCC(C)N1C(=O)Cn1cc(C#N)c2ccccc21.
What is the InChIKey of 1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]indole-3-carbonitrile?
The InChIKey is ODLUVKIDPKHFKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-13-6-5-7-14(2)21(13)18(22)12-20-11-15(10-19)16-8-3-4-9-17(16)20/h3-4,8-9,11,13-14H,5-7,12H2,1-2H3.
What are the key properties of 1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]indole-3-carbonitrile?
1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]indole-3-carbonitrile has a molecular weight of 295.39 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]indole-3-carbonitrile is sourced from PubChem (CID 3145522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).