4-[5-amino-2-methyl-3-(2-piperidin-1-ylacetyl)indol-1-yl]benzonitrile

C23H24N4O — CID 118078510

IUPAC4-[5-amino-2-methyl-3-(2-piperidin-1-ylacetyl)indol-1-yl]benzonitrile
SMILESCc1c(C(=O)CN2CCCCC2)c2cc(N)ccc2n1-c1ccc(C#N)cc1
InChIInChI=1S/C23H24N4O/c1-16-23(22(28)15-26-11-3-2-4-12-26)20-13-18(25)7-10-21(20)27(16)19-8-5-17(14-24)6-9-19/h5-10,13H,2-4,11-12,15,25H2,1H3
InChIKeySJJRTKKVKMCMDP-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.06
Rot. Bonds4

About 4-[5-amino-2-methyl-3-(2-piperidin-1-ylacetyl)indol-1-yl]benzonitrile

4-[5-amino-2-methyl-3-(2-piperidin-1-ylacetyl)indol-1-yl]benzonitrile (PubChem CID 118078510) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is 4-[5-amino-2-methyl-3-(2-piperidin-1-ylacetyl)indol-1-yl]benzonitrile.

Molecular Properties

Compound Name4-[5-amino-2-methyl-3-(2-piperidin-1-ylacetyl)indol-1-yl]benzonitrile
PubChem CID118078510
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name4-[5-amino-2-methyl-3-(2-piperidin-1-ylacetyl)indol-1-yl]benzonitrile
SMILESCc1c(C(=O)CN2CCCCC2)c2cc(N)ccc2n1-c1ccc(C#N)cc1
InChIInChI=1S/C23H24N4O/c1-16-23(22(28)15-26-11-3-2-4-12-26)20-13-18(25)7-10-21(20)27(16)19-8-5-17(14-24)6-9-19/h5-10,13H,2-4,11-12,15,25H2,1H3
InChIKeySJJRTKKVKMCMDP-UHFFFAOYSA-N
XLogP4.06
TPSA75.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[5-amino-2-methyl-3-(2-piperidin-1-ylacetyl)indol-1-yl]benzonitrile?
The IUPAC name of 4-[5-amino-2-methyl-3-(2-piperidin-1-ylacetyl)indol-1-yl]benzonitrile (CID 118078510) is 4-[5-amino-2-methyl-3-(2-piperidin-1-ylacetyl)indol-1-yl]benzonitrile.
What is the SMILES notation for 4-[5-amino-2-methyl-3-(2-piperidin-1-ylacetyl)indol-1-yl]benzonitrile?
The canonical SMILES for 4-[5-amino-2-methyl-3-(2-piperidin-1-ylacetyl)indol-1-yl]benzonitrile is Cc1c(C(=O)CN2CCCCC2)c2cc(N)ccc2n1-c1ccc(C#N)cc1.
What is the InChIKey of 4-[5-amino-2-methyl-3-(2-piperidin-1-ylacetyl)indol-1-yl]benzonitrile?
The InChIKey is SJJRTKKVKMCMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O/c1-16-23(22(28)15-26-11-3-2-4-12-26)20-13-18(25)7-10-21(20)27(16)19-8-5-17(14-24)6-9-19/h5-10,13H,2-4,11-12,15,25H2,1H3.
What are the key properties of 4-[5-amino-2-methyl-3-(2-piperidin-1-ylacetyl)indol-1-yl]benzonitrile?
4-[5-amino-2-methyl-3-(2-piperidin-1-ylacetyl)indol-1-yl]benzonitrile has a molecular weight of 372.47 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-amino-2-methyl-3-(2-piperidin-1-ylacetyl)indol-1-yl]benzonitrile is sourced from PubChem (CID 118078510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).