1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]indole-3-carbonitrile

C17H19N3O — CID 3154356

IUPAC1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]indole-3-carbonitrile
SMILESCC1CCCCN1C(=O)Cn1cc(C#N)c2ccccc21
InChIInChI=1S/C17H19N3O/c1-13-6-4-5-9-20(13)17(21)12-19-11-14(10-18)15-7-2-3-8-16(15)19/h2-3,7-8,11,13H,4-6,9,12H2,1H3
InChIKeyFWXSOGOVTXJJIJ-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.91
Rot. Bonds2

About 1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]indole-3-carbonitrile

1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]indole-3-carbonitrile (PubChem CID 3154356) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]indole-3-carbonitrile.

Molecular Properties

Compound Name1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]indole-3-carbonitrile
PubChem CID3154356
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]indole-3-carbonitrile
SMILESCC1CCCCN1C(=O)Cn1cc(C#N)c2ccccc21
InChIInChI=1S/C17H19N3O/c1-13-6-4-5-9-20(13)17(21)12-19-11-14(10-18)15-7-2-3-8-16(15)19/h2-3,7-8,11,13H,4-6,9,12H2,1H3
InChIKeyFWXSOGOVTXJJIJ-UHFFFAOYSA-N
XLogP2.91
TPSA49.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]indole-3-carbonitrile?
The IUPAC name of 1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]indole-3-carbonitrile (CID 3154356) is 1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]indole-3-carbonitrile.
What is the SMILES notation for 1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]indole-3-carbonitrile?
The canonical SMILES for 1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]indole-3-carbonitrile is CC1CCCCN1C(=O)Cn1cc(C#N)c2ccccc21.
What is the InChIKey of 1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]indole-3-carbonitrile?
The InChIKey is FWXSOGOVTXJJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-13-6-4-5-9-20(13)17(21)12-19-11-14(10-18)15-7-2-3-8-16(15)19/h2-3,7-8,11,13H,4-6,9,12H2,1H3.
What are the key properties of 1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]indole-3-carbonitrile?
1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]indole-3-carbonitrile has a molecular weight of 281.36 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]indole-3-carbonitrile is sourced from PubChem (CID 3154356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).