N-(4-cyanophenyl)-2-(3-ethylpiperidin-1-yl)acetamide

C16H21N3O — CID 43430359

IUPACN-(4-cyanophenyl)-2-(3-ethylpiperidin-1-yl)acetamide
SMILESCCC1CCCN(CC(=O)Nc2ccc(C#N)cc2)C1
InChIInChI=1S/C16H21N3O/c1-2-13-4-3-9-19(11-13)12-16(20)18-15-7-5-14(10-17)6-8-15/h5-8,13H,2-4,9,11-12H2,1H3,(H,18,20)
InChIKeyOLWGLKFLVQCYOX-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.62
Rot. Bonds4

About N-(4-cyanophenyl)-2-(3-ethylpiperidin-1-yl)acetamide

N-(4-cyanophenyl)-2-(3-ethylpiperidin-1-yl)acetamide (PubChem CID 43430359) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-(3-ethylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-(3-ethylpiperidin-1-yl)acetamide
PubChem CID43430359
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-(4-cyanophenyl)-2-(3-ethylpiperidin-1-yl)acetamide
SMILESCCC1CCCN(CC(=O)Nc2ccc(C#N)cc2)C1
InChIInChI=1S/C16H21N3O/c1-2-13-4-3-9-19(11-13)12-16(20)18-15-7-5-14(10-17)6-8-15/h5-8,13H,2-4,9,11-12H2,1H3,(H,18,20)
InChIKeyOLWGLKFLVQCYOX-UHFFFAOYSA-N
XLogP2.62
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 ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-cyanophenyl)-2-(3-ethylpyrrolidin-1-yl)acetamide
CID 112698282
N-(4-cyanophenyl)-2-(3-hydroxypiperidin-1-yl)acetamide
CID 60642377
N-(4-aminophenyl)-2-(3-ethylpiperidin-1-yl)acetamide
CID 43584126
N-(4-carbamothioylphenyl)-2-(3-ethylpiperidin-1-yl)acetamide
CID 43584521
N-(3-cyanophenyl)-2-(3-ethylpyrrolidin-1-yl)acetamide
CID 115688555
N-(4-cyanophenyl)-2-piperidin-1-ylacetamide
CID 2697414
N-(4-cyanophenyl)-2-(3,4-dimethylpiperidin-1-yl)acetamide
CID 115873454
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-(4-cyanophenyl)acetamide
CID 79927603
N-(4-cyanophenyl)-3-[3-(hydroxymethyl)piperidin-1-yl]propanamide
CID 43421973
N-(4-cyanophenyl)-2-(3-methoxypyrrolidin-1-yl)acetamide
CID 103533438
N-(3-aminophenyl)-2-(3-ethylpiperidin-1-yl)acetamide
CID 43584123
N-(4-cyanophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide
CID 106669426

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-(3-ethylpiperidin-1-yl)acetamide?
The IUPAC name of N-(4-cyanophenyl)-2-(3-ethylpiperidin-1-yl)acetamide (CID 43430359) is N-(4-cyanophenyl)-2-(3-ethylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-(3-ethylpiperidin-1-yl)acetamide?
The canonical SMILES for N-(4-cyanophenyl)-2-(3-ethylpiperidin-1-yl)acetamide is CCC1CCCN(CC(=O)Nc2ccc(C#N)cc2)C1.
What is the InChIKey of N-(4-cyanophenyl)-2-(3-ethylpiperidin-1-yl)acetamide?
The InChIKey is OLWGLKFLVQCYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-2-13-4-3-9-19(11-13)12-16(20)18-15-7-5-14(10-17)6-8-15/h5-8,13H,2-4,9,11-12H2,1H3,(H,18,20).
What are the key properties of N-(4-cyanophenyl)-2-(3-ethylpiperidin-1-yl)acetamide?
N-(4-cyanophenyl)-2-(3-ethylpiperidin-1-yl)acetamide has a molecular weight of 271.36 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2-(3-ethylpiperidin-1-yl)acetamide is sourced from PubChem (CID 43430359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).