N-(2-cyanophenyl)-2-(2-ethylpiperidin-1-yl)acetamide

C16H21N3O — CID 43212873

IUPACN-(2-cyanophenyl)-2-(2-ethylpiperidin-1-yl)acetamide
SMILESCCC1CCCCN1CC(=O)Nc1ccccc1C#N
InChIInChI=1S/C16H21N3O/c1-2-14-8-5-6-10-19(14)12-16(20)18-15-9-4-3-7-13(15)11-17/h3-4,7,9,14H,2,5-6,8,10,12H2,1H3,(H,18,20)
InChIKeyFYRSIDHWUAIQKQ-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.76
Rot. Bonds4

About N-(2-cyanophenyl)-2-(2-ethylpiperidin-1-yl)acetamide

N-(2-cyanophenyl)-2-(2-ethylpiperidin-1-yl)acetamide (PubChem CID 43212873) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2-(2-ethylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2-(2-ethylpiperidin-1-yl)acetamide
PubChem CID43212873
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-(2-cyanophenyl)-2-(2-ethylpiperidin-1-yl)acetamide
SMILESCCC1CCCCN1CC(=O)Nc1ccccc1C#N
InChIInChI=1S/C16H21N3O/c1-2-14-8-5-6-10-19(14)12-16(20)18-15-9-4-3-7-13(15)11-17/h3-4,7,9,14H,2,5-6,8,10,12H2,1H3,(H,18,20)
InChIKeyFYRSIDHWUAIQKQ-UHFFFAOYSA-N
XLogP2.76
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanophenyl)-2-[2-(hydroxymethyl)azepan-1-yl]acetamide
CID 116634774
2-(2-ethylpiperidin-1-yl)-N-(2-methylphenyl)acetamide
CID 78787228
N-[2-(aminomethyl)phenyl]-2-(2-ethylazepan-1-yl)acetamide
CID 104689093
N-cyclopentyl-2-[[2-(2-ethylpiperidin-1-yl)acetyl]amino]benzamide
CID 46800658
N-(2-cyanophenyl)-3-(2-methylpiperidin-1-yl)propanamide
CID 43176776
methyl 1-[2-(2-cyanoanilino)-2-oxoethyl]pyrrolidine-3-carboxylate
CID 112731411
N-(4-acetylphenyl)-2-(2-ethylpiperidin-1-yl)acetamide
CID 109006395
N-(2-cyanophenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)acetamide
CID 1439590
4-[[2-(2-ethylpiperidin-1-yl)acetyl]amino]-N-(2-methoxyphenyl)benzamide
CID 51170589
1-[2-(2-cyanoanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 799678
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2-cyanophenyl)acetamide
CID 63596583
2-[(2S)-2-ethylpiperidin-1-yl]-N-(3-methylphenyl)acetamide
CID 129380241

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2-(2-ethylpiperidin-1-yl)acetamide?
The IUPAC name of N-(2-cyanophenyl)-2-(2-ethylpiperidin-1-yl)acetamide (CID 43212873) is N-(2-cyanophenyl)-2-(2-ethylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-(2-cyanophenyl)-2-(2-ethylpiperidin-1-yl)acetamide?
The canonical SMILES for N-(2-cyanophenyl)-2-(2-ethylpiperidin-1-yl)acetamide is CCC1CCCCN1CC(=O)Nc1ccccc1C#N.
What is the InChIKey of N-(2-cyanophenyl)-2-(2-ethylpiperidin-1-yl)acetamide?
The InChIKey is FYRSIDHWUAIQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-2-14-8-5-6-10-19(14)12-16(20)18-15-9-4-3-7-13(15)11-17/h3-4,7,9,14H,2,5-6,8,10,12H2,1H3,(H,18,20).
What are the key properties of N-(2-cyanophenyl)-2-(2-ethylpiperidin-1-yl)acetamide?
N-(2-cyanophenyl)-2-(2-ethylpiperidin-1-yl)acetamide has a molecular weight of 271.36 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2-(2-ethylpiperidin-1-yl)acetamide is sourced from PubChem (CID 43212873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).