2-cyano-N-(5-cyano-2-piperidin-1-ylphenyl)acetamide

C15H16N4O — CID 168523631

IUPAC2-cyano-N-(5-cyano-2-piperidin-1-ylphenyl)acetamide
SMILESN#CCC(=O)Nc1cc(C#N)ccc1N1CCCCC1
InChIInChI=1S/C15H16N4O/c16-7-6-15(20)18-13-10-12(11-17)4-5-14(13)19-8-2-1-3-9-19/h4-5,10H,1-3,6,8-9H2,(H,18,20)
InChIKeyKLWMOFHPLJNAHL-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.40
Rot. Bonds3

About 2-cyano-N-(5-cyano-2-piperidin-1-ylphenyl)acetamide

2-cyano-N-(5-cyano-2-piperidin-1-ylphenyl)acetamide (PubChem CID 168523631) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-cyano-N-(5-cyano-2-piperidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-cyano-N-(5-cyano-2-piperidin-1-ylphenyl)acetamide
PubChem CID168523631
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name2-cyano-N-(5-cyano-2-piperidin-1-ylphenyl)acetamide
SMILESN#CCC(=O)Nc1cc(C#N)ccc1N1CCCCC1
InChIInChI=1S/C15H16N4O/c16-7-6-15(20)18-13-10-12(11-17)4-5-14(13)19-8-2-1-3-9-19/h4-5,10H,1-3,6,8-9H2,(H,18,20)
InChIKeyKLWMOFHPLJNAHL-UHFFFAOYSA-N
XLogP2.40
TPSA79.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-bromo-2-morpholin-4-ylphenyl)-2-cyanoacetamide
CID 86797592
N-(5-chloro-2-pyrrolidin-1-ylphenyl)-2-(4-cyanophenoxy)acetamide
CID 2526017
2-cyano-N-[5-fluoro-2-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 168520629
2-cyano-N-(2,4-dinitro-5-piperidin-1-ylphenyl)acetamide
CID 168523677
N-(2-bromo-4-cyanophenyl)-2-cyanoacetamide
CID 107790761
2-cyano-N-[5-fluoro-2-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 168523364
2-cyano-N-(8-pyrrolidin-1-ylquinolin-5-yl)acetamide
CID 168521739
N-(5-cyano-2-piperidin-1-ylphenyl)-4-methylbenzenesulfonamide
CID 169372874
4-cyano-2-pyrrolidin-1-ylbenzoic acid
CID 68804373
2-chloro-N-(5-methyl-2-piperidin-1-ylphenyl)acetamide
CID 45371722
3-fluoro-4-piperidin-1-ylbenzonitrile
CID 807896
4-(azocan-1-yl)-3-bromobenzonitrile
CID 79018837

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(5-cyano-2-piperidin-1-ylphenyl)acetamide?
The IUPAC name of 2-cyano-N-(5-cyano-2-piperidin-1-ylphenyl)acetamide (CID 168523631) is 2-cyano-N-(5-cyano-2-piperidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-cyano-N-(5-cyano-2-piperidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-cyano-N-(5-cyano-2-piperidin-1-ylphenyl)acetamide is N#CCC(=O)Nc1cc(C#N)ccc1N1CCCCC1.
What is the InChIKey of 2-cyano-N-(5-cyano-2-piperidin-1-ylphenyl)acetamide?
The InChIKey is KLWMOFHPLJNAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c16-7-6-15(20)18-13-10-12(11-17)4-5-14(13)19-8-2-1-3-9-19/h4-5,10H,1-3,6,8-9H2,(H,18,20).
What are the key properties of 2-cyano-N-(5-cyano-2-piperidin-1-ylphenyl)acetamide?
2-cyano-N-(5-cyano-2-piperidin-1-ylphenyl)acetamide has a molecular weight of 268.32 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(5-cyano-2-piperidin-1-ylphenyl)acetamide is sourced from PubChem (CID 168523631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).