2-(3-cyanopiperidin-1-yl)-N-(2-fluoro-5-methylphenyl)acetamide

C15H18FN3O — CID 91840470

IUPAC2-(3-cyanopiperidin-1-yl)-N-(2-fluoro-5-methylphenyl)acetamide
SMILESCc1ccc(F)c(NC(=O)CN2CCCC(C#N)C2)c1
InChIInChI=1S/C15H18FN3O/c1-11-4-5-13(16)14(7-11)18-15(20)10-19-6-2-3-12(8-17)9-19/h4-5,7,12H,2-3,6,9-10H2,1H3,(H,18,20)
InChIKeyXCLIXWKEAKILEF-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.31
Rot. Bonds3

About 2-(3-cyanopiperidin-1-yl)-N-(2-fluoro-5-methylphenyl)acetamide

2-(3-cyanopiperidin-1-yl)-N-(2-fluoro-5-methylphenyl)acetamide (PubChem CID 91840470) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is 2-(3-cyanopiperidin-1-yl)-N-(2-fluoro-5-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-cyanopiperidin-1-yl)-N-(2-fluoro-5-methylphenyl)acetamide
PubChem CID91840470
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC Name2-(3-cyanopiperidin-1-yl)-N-(2-fluoro-5-methylphenyl)acetamide
SMILESCc1ccc(F)c(NC(=O)CN2CCCC(C#N)C2)c1
InChIInChI=1S/C15H18FN3O/c1-11-4-5-13(16)14(7-11)18-15(20)10-19-6-2-3-12(8-17)9-19/h4-5,7,12H,2-3,6,9-10H2,1H3,(H,18,20)
InChIKeyXCLIXWKEAKILEF-UHFFFAOYSA-N
XLogP2.31
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-difluorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide
CID 8903638
N-(5-chloro-2-fluorophenyl)-2-[3-(trifluoromethyl)piperidin-1-yl]acetamide
CID 46801664
2-[(3S)-4-(cyclopropylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]-N-(2-fluoro-5-methylphenyl)acetamide
CID 124753533
N-(2,5-dimethylphenyl)-2-pyrrolidin-1-ylacetamide
CID 8901854
(3S,4S)-3-benzyl-1-[2-(2-fluoro-5-methylanilino)-2-oxoethyl]-4-hydroxypiperidine-3-carboxylic acid
CID 135098436
N-(2,4-difluorophenyl)-2-(3-methylpiperidin-1-yl)acetamide
CID 4824448
N-(2-fluorophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119919928
2-[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-N-(5-chloro-2-fluorophenyl)acetamide
CID 11940458
N-(2,5-dimethylphenyl)-2-(4-fluoropiperidin-1-yl)acetamide
CID 171701345
2-(3-aminopyrrolidin-1-yl)-N-(2,5-dimethylphenyl)acetamide
CID 62068769
2-[(3R)-3-hydroxypiperidin-1-yl]-N-(3-methylphenyl)acetamide
CID 129367068
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(2,5-difluorophenyl)acetamide;hydrochloride
CID 119917859

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyanopiperidin-1-yl)-N-(2-fluoro-5-methylphenyl)acetamide?
The IUPAC name of 2-(3-cyanopiperidin-1-yl)-N-(2-fluoro-5-methylphenyl)acetamide (CID 91840470) is 2-(3-cyanopiperidin-1-yl)-N-(2-fluoro-5-methylphenyl)acetamide.
What is the SMILES notation for 2-(3-cyanopiperidin-1-yl)-N-(2-fluoro-5-methylphenyl)acetamide?
The canonical SMILES for 2-(3-cyanopiperidin-1-yl)-N-(2-fluoro-5-methylphenyl)acetamide is Cc1ccc(F)c(NC(=O)CN2CCCC(C#N)C2)c1.
What is the InChIKey of 2-(3-cyanopiperidin-1-yl)-N-(2-fluoro-5-methylphenyl)acetamide?
The InChIKey is XCLIXWKEAKILEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O/c1-11-4-5-13(16)14(7-11)18-15(20)10-19-6-2-3-12(8-17)9-19/h4-5,7,12H,2-3,6,9-10H2,1H3,(H,18,20).
What are the key properties of 2-(3-cyanopiperidin-1-yl)-N-(2-fluoro-5-methylphenyl)acetamide?
2-(3-cyanopiperidin-1-yl)-N-(2-fluoro-5-methylphenyl)acetamide has a molecular weight of 275.33 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyanopiperidin-1-yl)-N-(2-fluoro-5-methylphenyl)acetamide is sourced from PubChem (CID 91840470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).