N-[2-(5-cyano-2-methyl-1H-indol-3-yl)ethyl]-2-(1-ethylpiperidin-4-yl)acetamide

C21H28N4O — CID 72854273

IUPACN-[2-(5-cyano-2-methyl-1H-indol-3-yl)ethyl]-2-(1-ethylpiperidin-4-yl)acetamide
SMILESCCN1CCC(CC(=O)NCCc2c(C)[nH]c3ccc(C#N)cc23)CC1
InChIInChI=1S/C21H28N4O/c1-3-25-10-7-16(8-11-25)13-21(26)23-9-6-18-15(2)24-20-5-4-17(14-22)12-19(18)20/h4-5,12,16,24H,3,6-11,13H2,1-2H3,(H,23,26)
InChIKeyQLGROWNWGOBQDC-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.13
Rot. Bonds6

About N-[2-(5-cyano-2-methyl-1H-indol-3-yl)ethyl]-2-(1-ethylpiperidin-4-yl)acetamide

N-[2-(5-cyano-2-methyl-1H-indol-3-yl)ethyl]-2-(1-ethylpiperidin-4-yl)acetamide (PubChem CID 72854273) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is N-[2-(5-cyano-2-methyl-1H-indol-3-yl)ethyl]-2-(1-ethylpiperidin-4-yl)acetamide.

Molecular Properties

Compound NameN-[2-(5-cyano-2-methyl-1H-indol-3-yl)ethyl]-2-(1-ethylpiperidin-4-yl)acetamide
PubChem CID72854273
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC NameN-[2-(5-cyano-2-methyl-1H-indol-3-yl)ethyl]-2-(1-ethylpiperidin-4-yl)acetamide
SMILESCCN1CCC(CC(=O)NCCc2c(C)[nH]c3ccc(C#N)cc23)CC1
InChIInChI=1S/C21H28N4O/c1-3-25-10-7-16(8-11-25)13-21(26)23-9-6-18-15(2)24-20-5-4-17(14-22)12-19(18)20/h4-5,12,16,24H,3,6-11,13H2,1-2H3,(H,23,26)
InChIKeyQLGROWNWGOBQDC-UHFFFAOYSA-N
XLogP3.13
TPSA71.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-cyano-2-methyl-1H-indol-3-yl)ethyl]-2-(1-ethylpiperidin-4-yl)acetamide?
The IUPAC name of N-[2-(5-cyano-2-methyl-1H-indol-3-yl)ethyl]-2-(1-ethylpiperidin-4-yl)acetamide (CID 72854273) is N-[2-(5-cyano-2-methyl-1H-indol-3-yl)ethyl]-2-(1-ethylpiperidin-4-yl)acetamide.
What is the SMILES notation for N-[2-(5-cyano-2-methyl-1H-indol-3-yl)ethyl]-2-(1-ethylpiperidin-4-yl)acetamide?
The canonical SMILES for N-[2-(5-cyano-2-methyl-1H-indol-3-yl)ethyl]-2-(1-ethylpiperidin-4-yl)acetamide is CCN1CCC(CC(=O)NCCc2c(C)[nH]c3ccc(C#N)cc23)CC1.
What is the InChIKey of N-[2-(5-cyano-2-methyl-1H-indol-3-yl)ethyl]-2-(1-ethylpiperidin-4-yl)acetamide?
The InChIKey is QLGROWNWGOBQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c1-3-25-10-7-16(8-11-25)13-21(26)23-9-6-18-15(2)24-20-5-4-17(14-22)12-19(18)20/h4-5,12,16,24H,3,6-11,13H2,1-2H3,(H,23,26).
What are the key properties of N-[2-(5-cyano-2-methyl-1H-indol-3-yl)ethyl]-2-(1-ethylpiperidin-4-yl)acetamide?
N-[2-(5-cyano-2-methyl-1H-indol-3-yl)ethyl]-2-(1-ethylpiperidin-4-yl)acetamide has a molecular weight of 352.48 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-cyano-2-methyl-1H-indol-3-yl)ethyl]-2-(1-ethylpiperidin-4-yl)acetamide is sourced from PubChem (CID 72854273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).