4-[2,6-dimethyl-3-(2-piperidin-1-ylacetyl)indol-1-yl]benzonitrile

C24H25N3O — CID 118078500

IUPAC4-[2,6-dimethyl-3-(2-piperidin-1-ylacetyl)indol-1-yl]benzonitrile
SMILESCc1ccc2c(C(=O)CN3CCCCC3)c(C)n(-c3ccc(C#N)cc3)c2c1
InChIInChI=1S/C24H25N3O/c1-17-6-11-21-22(14-17)27(20-9-7-19(15-25)8-10-20)18(2)24(21)23(28)16-26-12-4-3-5-13-26/h6-11,14H,3-5,12-13,16H2,1-2H3
InChIKeyZKAHQEVNUJIOHX-UHFFFAOYSA-N
MW371.48 g/mol
LogP4.79
Rot. Bonds4

About 4-[2,6-dimethyl-3-(2-piperidin-1-ylacetyl)indol-1-yl]benzonitrile

4-[2,6-dimethyl-3-(2-piperidin-1-ylacetyl)indol-1-yl]benzonitrile (PubChem CID 118078500) has the molecular formula C24H25N3O and a molecular weight of 371.48 g/mol. Its IUPAC name is 4-[2,6-dimethyl-3-(2-piperidin-1-ylacetyl)indol-1-yl]benzonitrile.

Molecular Properties

Compound Name4-[2,6-dimethyl-3-(2-piperidin-1-ylacetyl)indol-1-yl]benzonitrile
PubChem CID118078500
Molecular FormulaC24H25N3O
Molecular Weight371.48 g/mol
Exact Mass371.20
IUPAC Name4-[2,6-dimethyl-3-(2-piperidin-1-ylacetyl)indol-1-yl]benzonitrile
SMILESCc1ccc2c(C(=O)CN3CCCCC3)c(C)n(-c3ccc(C#N)cc3)c2c1
InChIInChI=1S/C24H25N3O/c1-17-6-11-21-22(14-17)27(20-9-7-19(15-25)8-10-20)18(2)24(21)23(28)16-26-12-4-3-5-13-26/h6-11,14H,3-5,12-13,16H2,1-2H3
InChIKeyZKAHQEVNUJIOHX-UHFFFAOYSA-N
XLogP4.79
TPSA49.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2,6-dimethyl-3-(2-piperidin-1-ylacetyl)indol-1-yl]benzonitrile?
The IUPAC name of 4-[2,6-dimethyl-3-(2-piperidin-1-ylacetyl)indol-1-yl]benzonitrile (CID 118078500) is 4-[2,6-dimethyl-3-(2-piperidin-1-ylacetyl)indol-1-yl]benzonitrile.
What is the SMILES notation for 4-[2,6-dimethyl-3-(2-piperidin-1-ylacetyl)indol-1-yl]benzonitrile?
The canonical SMILES for 4-[2,6-dimethyl-3-(2-piperidin-1-ylacetyl)indol-1-yl]benzonitrile is Cc1ccc2c(C(=O)CN3CCCCC3)c(C)n(-c3ccc(C#N)cc3)c2c1.
What is the InChIKey of 4-[2,6-dimethyl-3-(2-piperidin-1-ylacetyl)indol-1-yl]benzonitrile?
The InChIKey is ZKAHQEVNUJIOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O/c1-17-6-11-21-22(14-17)27(20-9-7-19(15-25)8-10-20)18(2)24(21)23(28)16-26-12-4-3-5-13-26/h6-11,14H,3-5,12-13,16H2,1-2H3.
What are the key properties of 4-[2,6-dimethyl-3-(2-piperidin-1-ylacetyl)indol-1-yl]benzonitrile?
4-[2,6-dimethyl-3-(2-piperidin-1-ylacetyl)indol-1-yl]benzonitrile has a molecular weight of 371.48 g/mol, XLogP of 4.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,6-dimethyl-3-(2-piperidin-1-ylacetyl)indol-1-yl]benzonitrile is sourced from PubChem (CID 118078500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).