N-(2-cyanophenyl)-2,2-dimethyl-N'-(4-piperidin-1-ylphenyl)propanediamide

C23H26N4O2 — CID 108969928

IUPACN-(2-cyanophenyl)-2,2-dimethyl-N'-(4-piperidin-1-ylphenyl)propanediamide
SMILESCC(C)(C(=O)Nc1ccc(N2CCCCC2)cc1)C(=O)Nc1ccccc1C#N
InChIInChI=1S/C23H26N4O2/c1-23(2,22(29)26-20-9-5-4-8-17(20)16-24)21(28)25-18-10-12-19(13-11-18)27-14-6-3-7-15-27/h4-5,8-13H,3,6-7,14-15H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyYRZPWHFWEQJNOS-UHFFFAOYSA-N
MW390.49 g/mol
LogP4.15
Rot. Bonds5

About N-(2-cyanophenyl)-2,2-dimethyl-N'-(4-piperidin-1-ylphenyl)propanediamide

N-(2-cyanophenyl)-2,2-dimethyl-N'-(4-piperidin-1-ylphenyl)propanediamide (PubChem CID 108969928) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-(2-cyanophenyl)-2,2-dimethyl-N'-(4-piperidin-1-ylphenyl)propanediamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-2,2-dimethyl-N'-(4-piperidin-1-ylphenyl)propanediamide
PubChem CID108969928
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC NameN-(2-cyanophenyl)-2,2-dimethyl-N'-(4-piperidin-1-ylphenyl)propanediamide
SMILESCC(C)(C(=O)Nc1ccc(N2CCCCC2)cc1)C(=O)Nc1ccccc1C#N
InChIInChI=1S/C23H26N4O2/c1-23(2,22(29)26-20-9-5-4-8-17(20)16-24)21(28)25-18-10-12-19(13-11-18)27-14-6-3-7-15-27/h4-5,8-13H,3,6-7,14-15H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyYRZPWHFWEQJNOS-UHFFFAOYSA-N
XLogP4.15
TPSA85.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-cyanophenyl)-2,2-dimethyl-N'-(4-pyrrolidin-1-ylphenyl)propanediamide
CID 108969922
N-(2-methoxyphenyl)-2,2-dimethyl-N'-(4-piperidin-1-ylphenyl)propanediamide
CID 108969323
N-(4-tert-butylphenyl)-N'-(2-cyanophenyl)-2,2-dimethylpropanediamide
CID 108968687
N,N'-bis(2-cyanophenyl)-2,2-dimethylpropanediamide
CID 108970151
N-(2-cyanophenyl)-2-(4-piperidin-1-ylphenyl)acetamide
CID 110651282
2,2-dimethyl-N-(4-methylphenyl)-N'-(4-pyrrolidin-1-ylphenyl)propanediamide
CID 108967489
2,2-dimethyl-N-(2-methylphenyl)-N'-[4-(4-methylpiperazin-1-yl)phenyl]propanediamide
CID 108967292
1-(2-cyanophenyl)-3-[4-(4-methylpiperidin-1-yl)phenyl]urea
CID 108992543
N-(2-cyanophenyl)-2,2-dimethyl-N'-(3-methylphenyl)propanediamide
CID 108967421
N-(2-cyanophenyl)-N'-(3,4-dimethoxyphenyl)-2,2-dimethylpropanediamide
CID 108969671
4-(4-tert-butylphenyl)-N-(2-cyanophenyl)piperazine-1-carboxamide
CID 113112681
3-amino-2,2-dimethyl-N-(4-pyrrolidin-1-ylphenyl)-3-sulfanylidenepropanamide
CID 63180115

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-2,2-dimethyl-N'-(4-piperidin-1-ylphenyl)propanediamide?
The IUPAC name of N-(2-cyanophenyl)-2,2-dimethyl-N'-(4-piperidin-1-ylphenyl)propanediamide (CID 108969928) is N-(2-cyanophenyl)-2,2-dimethyl-N'-(4-piperidin-1-ylphenyl)propanediamide.
What is the SMILES notation for N-(2-cyanophenyl)-2,2-dimethyl-N'-(4-piperidin-1-ylphenyl)propanediamide?
The canonical SMILES for N-(2-cyanophenyl)-2,2-dimethyl-N'-(4-piperidin-1-ylphenyl)propanediamide is CC(C)(C(=O)Nc1ccc(N2CCCCC2)cc1)C(=O)Nc1ccccc1C#N.
What is the InChIKey of N-(2-cyanophenyl)-2,2-dimethyl-N'-(4-piperidin-1-ylphenyl)propanediamide?
The InChIKey is YRZPWHFWEQJNOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-23(2,22(29)26-20-9-5-4-8-17(20)16-24)21(28)25-18-10-12-19(13-11-18)27-14-6-3-7-15-27/h4-5,8-13H,3,6-7,14-15H2,1-2H3,(H,25,28)(H,26,29).
What are the key properties of N-(2-cyanophenyl)-2,2-dimethyl-N'-(4-piperidin-1-ylphenyl)propanediamide?
N-(2-cyanophenyl)-2,2-dimethyl-N'-(4-piperidin-1-ylphenyl)propanediamide has a molecular weight of 390.49 g/mol, XLogP of 4.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-2,2-dimethyl-N'-(4-piperidin-1-ylphenyl)propanediamide is sourced from PubChem (CID 108969928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).