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

C15H19N3O — CID 112698282

IUPACN-(4-cyanophenyl)-2-(3-ethylpyrrolidin-1-yl)acetamide
SMILESCCC1CCN(CC(=O)Nc2ccc(C#N)cc2)C1
InChIInChI=1S/C15H19N3O/c1-2-12-7-8-18(10-12)11-15(19)17-14-5-3-13(9-16)4-6-14/h3-6,12H,2,7-8,10-11H2,1H3,(H,17,19)
InChIKeyZGWJJUONMOPFKK-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.23
Rot. Bonds4

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

N-(4-cyanophenyl)-2-(3-ethylpyrrolidin-1-yl)acetamide (PubChem CID 112698282) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-(3-ethylpyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-(3-ethylpyrrolidin-1-yl)acetamide
PubChem CID112698282
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-(4-cyanophenyl)-2-(3-ethylpyrrolidin-1-yl)acetamide
SMILESCCC1CCN(CC(=O)Nc2ccc(C#N)cc2)C1
InChIInChI=1S/C15H19N3O/c1-2-12-7-8-18(10-12)11-15(19)17-14-5-3-13(9-16)4-6-14/h3-6,12H,2,7-8,10-11H2,1H3,(H,17,19)
InChIKeyZGWJJUONMOPFKK-UHFFFAOYSA-N
XLogP2.23
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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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Related Compounds

N-(4-cyanophenyl)-2-(3-ethylpiperidin-1-yl)acetamide
CID 43430359
N-(3-cyanophenyl)-2-(3-ethylpyrrolidin-1-yl)acetamide
CID 115688555
N-(4-cyanophenyl)-2-(3,4-dimethylpiperidin-1-yl)acetamide
CID 115873454
N-(4-cyanophenyl)-2-[4-(hydroxymethyl)piperidin-1-yl]acetamide
CID 43246133
N-(4-cyanophenyl)-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide
CID 63248740
N-(4-cyanophenyl)-2-(3-methoxypyrrolidin-1-yl)acetamide
CID 103533438
2-[3-(aminomethyl)-4-methylpiperidin-1-yl]-N-(4-cyanophenyl)acetamide
CID 114961132
N-(4-cyanophenyl)-2-(3-hydroxypiperidin-1-yl)acetamide
CID 60642377
N-(4-cyanophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide
CID 106669426
N-(4-aminophenyl)-2-(3-ethylpiperidin-1-yl)acetamide
CID 43584126
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)-2-piperidin-1-ylacetamide
CID 2697414

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-(3-ethylpyrrolidin-1-yl)acetamide?
The IUPAC name of N-(4-cyanophenyl)-2-(3-ethylpyrrolidin-1-yl)acetamide (CID 112698282) is N-(4-cyanophenyl)-2-(3-ethylpyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-(3-ethylpyrrolidin-1-yl)acetamide?
The canonical SMILES for N-(4-cyanophenyl)-2-(3-ethylpyrrolidin-1-yl)acetamide is CCC1CCN(CC(=O)Nc2ccc(C#N)cc2)C1.
What is the InChIKey of N-(4-cyanophenyl)-2-(3-ethylpyrrolidin-1-yl)acetamide?
The InChIKey is ZGWJJUONMOPFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-2-12-7-8-18(10-12)11-15(19)17-14-5-3-13(9-16)4-6-14/h3-6,12H,2,7-8,10-11H2,1H3,(H,17,19).
What are the key properties of N-(4-cyanophenyl)-2-(3-ethylpyrrolidin-1-yl)acetamide?
N-(4-cyanophenyl)-2-(3-ethylpyrrolidin-1-yl)acetamide has a molecular weight of 257.34 g/mol, XLogP of 2.23, 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-ethylpyrrolidin-1-yl)acetamide is sourced from PubChem (CID 112698282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).