N-(2-cyano-4,5-dimethoxyphenyl)-2-(2-ethylpiperidin-1-yl)acetamide

C18H25N3O3 — CID 4916842

IUPACN-(2-cyano-4,5-dimethoxyphenyl)-2-(2-ethylpiperidin-1-yl)acetamide
SMILESCCC1CCCCN1CC(=O)Nc1cc(OC)c(OC)cc1C#N
InChIInChI=1S/C18H25N3O3/c1-4-14-7-5-6-8-21(14)12-18(22)20-15-10-17(24-3)16(23-2)9-13(15)11-19/h9-10,14H,4-8,12H2,1-3H3,(H,20,22)
InChIKeyOCHXPQKQVKPAAL-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.78
Rot. Bonds6

About N-(2-cyano-4,5-dimethoxyphenyl)-2-(2-ethylpiperidin-1-yl)acetamide

N-(2-cyano-4,5-dimethoxyphenyl)-2-(2-ethylpiperidin-1-yl)acetamide (PubChem CID 4916842) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-(2-cyano-4,5-dimethoxyphenyl)-2-(2-ethylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-cyano-4,5-dimethoxyphenyl)-2-(2-ethylpiperidin-1-yl)acetamide
PubChem CID4916842
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC NameN-(2-cyano-4,5-dimethoxyphenyl)-2-(2-ethylpiperidin-1-yl)acetamide
SMILESCCC1CCCCN1CC(=O)Nc1cc(OC)c(OC)cc1C#N
InChIInChI=1S/C18H25N3O3/c1-4-14-7-5-6-8-21(14)12-18(22)20-15-10-17(24-3)16(23-2)9-13(15)11-19/h9-10,14H,4-8,12H2,1-3H3,(H,20,22)
InChIKeyOCHXPQKQVKPAAL-UHFFFAOYSA-N
XLogP2.78
TPSA74.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-4,5-dimethoxyphenyl)-2-(2-ethylpiperidin-1-yl)acetamide?
The IUPAC name of N-(2-cyano-4,5-dimethoxyphenyl)-2-(2-ethylpiperidin-1-yl)acetamide (CID 4916842) is N-(2-cyano-4,5-dimethoxyphenyl)-2-(2-ethylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-(2-cyano-4,5-dimethoxyphenyl)-2-(2-ethylpiperidin-1-yl)acetamide?
The canonical SMILES for N-(2-cyano-4,5-dimethoxyphenyl)-2-(2-ethylpiperidin-1-yl)acetamide is CCC1CCCCN1CC(=O)Nc1cc(OC)c(OC)cc1C#N.
What is the InChIKey of N-(2-cyano-4,5-dimethoxyphenyl)-2-(2-ethylpiperidin-1-yl)acetamide?
The InChIKey is OCHXPQKQVKPAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-4-14-7-5-6-8-21(14)12-18(22)20-15-10-17(24-3)16(23-2)9-13(15)11-19/h9-10,14H,4-8,12H2,1-3H3,(H,20,22).
What are the key properties of N-(2-cyano-4,5-dimethoxyphenyl)-2-(2-ethylpiperidin-1-yl)acetamide?
N-(2-cyano-4,5-dimethoxyphenyl)-2-(2-ethylpiperidin-1-yl)acetamide has a molecular weight of 331.42 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-4,5-dimethoxyphenyl)-2-(2-ethylpiperidin-1-yl)acetamide is sourced from PubChem (CID 4916842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).