4-[2-methyl-3-(2-piperidin-1-ylacetyl)indol-1-yl]benzonitrile

C23H23N3O — CID 118078501

IUPAC4-[2-methyl-3-(2-piperidin-1-ylacetyl)indol-1-yl]benzonitrile
SMILESCc1c(C(=O)CN2CCCCC2)c2ccccc2n1-c1ccc(C#N)cc1
InChIInChI=1S/C23H23N3O/c1-17-23(22(27)16-25-13-5-2-6-14-25)20-7-3-4-8-21(20)26(17)19-11-9-18(15-24)10-12-19/h3-4,7-12H,2,5-6,13-14,16H2,1H3
InChIKeyRJGCPDQPUDQZPB-UHFFFAOYSA-N
MW357.46 g/mol
LogP4.48
Rot. Bonds4

About 4-[2-methyl-3-(2-piperidin-1-ylacetyl)indol-1-yl]benzonitrile

4-[2-methyl-3-(2-piperidin-1-ylacetyl)indol-1-yl]benzonitrile (PubChem CID 118078501) has the molecular formula C23H23N3O and a molecular weight of 357.46 g/mol. Its IUPAC name is 4-[2-methyl-3-(2-piperidin-1-ylacetyl)indol-1-yl]benzonitrile.

Molecular Properties

Compound Name4-[2-methyl-3-(2-piperidin-1-ylacetyl)indol-1-yl]benzonitrile
PubChem CID118078501
Molecular FormulaC23H23N3O
Molecular Weight357.46 g/mol
Exact Mass357.18
IUPAC Name4-[2-methyl-3-(2-piperidin-1-ylacetyl)indol-1-yl]benzonitrile
SMILESCc1c(C(=O)CN2CCCCC2)c2ccccc2n1-c1ccc(C#N)cc1
InChIInChI=1S/C23H23N3O/c1-17-23(22(27)16-25-13-5-2-6-14-25)20-7-3-4-8-21(20)26(17)19-11-9-18(15-24)10-12-19/h3-4,7-12H,2,5-6,13-14,16H2,1H3
InChIKeyRJGCPDQPUDQZPB-UHFFFAOYSA-N
XLogP4.48
TPSA49.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-methyl-3-(2-piperidin-1-ylacetyl)indol-1-yl]benzonitrile?
The IUPAC name of 4-[2-methyl-3-(2-piperidin-1-ylacetyl)indol-1-yl]benzonitrile (CID 118078501) is 4-[2-methyl-3-(2-piperidin-1-ylacetyl)indol-1-yl]benzonitrile.
What is the SMILES notation for 4-[2-methyl-3-(2-piperidin-1-ylacetyl)indol-1-yl]benzonitrile?
The canonical SMILES for 4-[2-methyl-3-(2-piperidin-1-ylacetyl)indol-1-yl]benzonitrile is Cc1c(C(=O)CN2CCCCC2)c2ccccc2n1-c1ccc(C#N)cc1.
What is the InChIKey of 4-[2-methyl-3-(2-piperidin-1-ylacetyl)indol-1-yl]benzonitrile?
The InChIKey is RJGCPDQPUDQZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O/c1-17-23(22(27)16-25-13-5-2-6-14-25)20-7-3-4-8-21(20)26(17)19-11-9-18(15-24)10-12-19/h3-4,7-12H,2,5-6,13-14,16H2,1H3.
What are the key properties of 4-[2-methyl-3-(2-piperidin-1-ylacetyl)indol-1-yl]benzonitrile?
4-[2-methyl-3-(2-piperidin-1-ylacetyl)indol-1-yl]benzonitrile has a molecular weight of 357.46 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methyl-3-(2-piperidin-1-ylacetyl)indol-1-yl]benzonitrile is sourced from PubChem (CID 118078501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).