N-(4-cyanophenyl)-2-(4-piperidin-1-ylanilino)acetamide

C20H22N4O — CID 37221907

IUPACN-(4-cyanophenyl)-2-(4-piperidin-1-ylanilino)acetamide
SMILESN#Cc1ccc(NC(=O)CNc2ccc(N3CCCCC3)cc2)cc1
InChIInChI=1S/C20H22N4O/c21-14-16-4-6-18(7-5-16)23-20(25)15-22-17-8-10-19(11-9-17)24-12-2-1-3-13-24/h4-11,22H,1-3,12-13,15H2,(H,23,25)
InChIKeyNTRJRNJFVCMAQE-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.60
Rot. Bonds5

About N-(4-cyanophenyl)-2-(4-piperidin-1-ylanilino)acetamide

N-(4-cyanophenyl)-2-(4-piperidin-1-ylanilino)acetamide (PubChem CID 37221907) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2-(4-piperidin-1-ylanilino)acetamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2-(4-piperidin-1-ylanilino)acetamide
PubChem CID37221907
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC NameN-(4-cyanophenyl)-2-(4-piperidin-1-ylanilino)acetamide
SMILESN#Cc1ccc(NC(=O)CNc2ccc(N3CCCCC3)cc2)cc1
InChIInChI=1S/C20H22N4O/c21-14-16-4-6-18(7-5-16)23-20(25)15-22-17-8-10-19(11-9-17)24-12-2-1-3-13-24/h4-11,22H,1-3,12-13,15H2,(H,23,25)
InChIKeyNTRJRNJFVCMAQE-UHFFFAOYSA-N
XLogP3.60
TPSA68.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-(4-cyanoanilino)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 109010682
[2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 4-cyanobenzoate
CID 2334927
N-(4-cyanophenyl)-2,2-dimethyl-N'-(4-pyrrolidin-1-ylphenyl)propanediamide
CID 108969922
N-[4-(dimethylamino)phenyl]-2-(4-pyrrolidin-1-ylanilino)acetamide
CID 109010337
N-(4-cyanophenyl)-2-(4-fluoroanilino)acetamide
CID 9098665
1-(4-cyanophenyl)-3-[(4-pyrrolidin-1-ylphenyl)methyl]urea
CID 38275681
N-(4-piperidin-1-ylphenyl)-2-(prop-2-ynylamino)acetamide
CID 78908637
2-(4-piperidin-1-ylanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 37221892
N-(4-piperidin-1-ylphenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109041781
N-(4-cyanophenyl)-2-piperidin-1-ylacetamide
CID 2697414
2-(3-acetamidoanilino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 109009928
2-[(4-cyanophenyl)methyl-propylamino]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 55841564

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2-(4-piperidin-1-ylanilino)acetamide?
The IUPAC name of N-(4-cyanophenyl)-2-(4-piperidin-1-ylanilino)acetamide (CID 37221907) is N-(4-cyanophenyl)-2-(4-piperidin-1-ylanilino)acetamide.
What is the SMILES notation for N-(4-cyanophenyl)-2-(4-piperidin-1-ylanilino)acetamide?
The canonical SMILES for N-(4-cyanophenyl)-2-(4-piperidin-1-ylanilino)acetamide is N#Cc1ccc(NC(=O)CNc2ccc(N3CCCCC3)cc2)cc1.
What is the InChIKey of N-(4-cyanophenyl)-2-(4-piperidin-1-ylanilino)acetamide?
The InChIKey is NTRJRNJFVCMAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c21-14-16-4-6-18(7-5-16)23-20(25)15-22-17-8-10-19(11-9-17)24-12-2-1-3-13-24/h4-11,22H,1-3,12-13,15H2,(H,23,25).
What are the key properties of N-(4-cyanophenyl)-2-(4-piperidin-1-ylanilino)acetamide?
N-(4-cyanophenyl)-2-(4-piperidin-1-ylanilino)acetamide has a molecular weight of 334.42 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2-(4-piperidin-1-ylanilino)acetamide is sourced from PubChem (CID 37221907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).