N-(2-cyanophenyl)-2-(4-methylpiperidin-1-yl)acetamide

C15H19N3O — CID 2655002

IUPACN-(2-cyanophenyl)-2-(4-methylpiperidin-1-yl)acetamide
SMILESCC1CCN(CC(=O)Nc2ccccc2C#N)CC1
InChIInChI=1S/C15H19N3O/c1-12-6-8-18(9-7-12)11-15(19)17-14-5-3-2-4-13(14)10-16/h2-5,12H,6-9,11H2,1H3,(H,17,19)
InChIKeyMNXFOHIFPAMWSG-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.23
Rot. Bonds3

About N-(2-cyanophenyl)-2-(4-methylpiperidin-1-yl)acetamide

N-(2-cyanophenyl)-2-(4-methylpiperidin-1-yl)acetamide (PubChem CID 2655002) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-(4-methylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-(4-methylpiperidin-1-yl)acetamide
PubChem CID2655002
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-(2-cyanophenyl)-2-(4-methylpiperidin-1-yl)acetamide
SMILESCC1CCN(CC(=O)Nc2ccccc2C#N)CC1
InChIInChI=1S/C15H19N3O/c1-12-6-8-18(9-7-12)11-15(19)17-14-5-3-2-4-13(14)10-16/h2-5,12H,6-9,11H2,1H3,(H,17,19)
InChIKeyMNXFOHIFPAMWSG-UHFFFAOYSA-N
XLogP2.23
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-(4-methylpiperidin-1-yl)acetamide?
The IUPAC name of N-(2-cyanophenyl)-2-(4-methylpiperidin-1-yl)acetamide (CID 2655002) is N-(2-cyanophenyl)-2-(4-methylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-(4-methylpiperidin-1-yl)acetamide?
The canonical SMILES for N-(2-cyanophenyl)-2-(4-methylpiperidin-1-yl)acetamide is CC1CCN(CC(=O)Nc2ccccc2C#N)CC1.
What is the InChIKey of N-(2-cyanophenyl)-2-(4-methylpiperidin-1-yl)acetamide?
The InChIKey is MNXFOHIFPAMWSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-12-6-8-18(9-7-12)11-15(19)17-14-5-3-2-4-13(14)10-16/h2-5,12H,6-9,11H2,1H3,(H,17,19).
What are the key properties of N-(2-cyanophenyl)-2-(4-methylpiperidin-1-yl)acetamide?
N-(2-cyanophenyl)-2-(4-methylpiperidin-1-yl)acetamide has a molecular weight of 257.34 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2-(4-methylpiperidin-1-yl)acetamide is sourced from PubChem (CID 2655002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).