N-(2-cyanophenyl)-N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]acetamide

C18H23N3O2 — CID 113180707

IUPACN-(2-cyanophenyl)-N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]acetamide
SMILESCCC1CCCCN1C(=O)CN(C(C)=O)c1ccccc1C#N
InChIInChI=1S/C18H23N3O2/c1-3-16-9-6-7-11-20(16)18(23)13-21(14(2)22)17-10-5-4-8-15(17)12-19/h4-5,8,10,16H,3,6-7,9,11,13H2,1-2H3
InChIKeyHYBUAEMUBLEZHE-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.70
Rot. Bonds4

About N-(2-cyanophenyl)-N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]acetamide

N-(2-cyanophenyl)-N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]acetamide (PubChem CID 113180707) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-(2-cyanophenyl)-N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]acetamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]acetamide
PubChem CID113180707
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN-(2-cyanophenyl)-N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]acetamide
SMILESCCC1CCCCN1C(=O)CN(C(C)=O)c1ccccc1C#N
InChIInChI=1S/C18H23N3O2/c1-3-16-9-6-7-11-20(16)18(23)13-21(14(2)22)17-10-5-4-8-15(17)12-19/h4-5,8,10,16H,3,6-7,9,11,13H2,1-2H3
InChIKeyHYBUAEMUBLEZHE-UHFFFAOYSA-N
XLogP2.70
TPSA64.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-N-(2-methoxyphenyl)acetamide
CID 113173184
N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-N-(4-methylphenyl)acetamide
CID 113167733
N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-N-(2-methylphenyl)acetamide
CID 113123611
N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 113177011
N-(3,5-dimethylphenyl)-N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]acetamide
CID 113168511
N-(4-ethoxyphenyl)-N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]acetamide
CID 113173923
N-(2-cyanophenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide
CID 113134658
N-(2,3-dichlorophenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113134315
N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-N-(3-phenylpropyl)acetamide
CID 113165843
N-(2,6-dimethylphenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113124884
N-(2,6-dichlorophenyl)-N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113134208
N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-N-methylbenzenesulfonamide
CID 78767110

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]acetamide?
The IUPAC name of N-(2-cyanophenyl)-N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]acetamide (CID 113180707) is N-(2-cyanophenyl)-N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]acetamide.
What is the SMILES notation for N-(2-cyanophenyl)-N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]acetamide?
The canonical SMILES for N-(2-cyanophenyl)-N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]acetamide is CCC1CCCCN1C(=O)CN(C(C)=O)c1ccccc1C#N.
What is the InChIKey of N-(2-cyanophenyl)-N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]acetamide?
The InChIKey is HYBUAEMUBLEZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-3-16-9-6-7-11-20(16)18(23)13-21(14(2)22)17-10-5-4-8-15(17)12-19/h4-5,8,10,16H,3,6-7,9,11,13H2,1-2H3.
What are the key properties of N-(2-cyanophenyl)-N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]acetamide?
N-(2-cyanophenyl)-N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]acetamide has a molecular weight of 313.40 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]acetamide is sourced from PubChem (CID 113180707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).