4-(4-tert-butylphenyl)-N-(2-cyanophenyl)piperazine-1-carboxamide

C22H26N4O — CID 113112681

IUPAC4-(4-tert-butylphenyl)-N-(2-cyanophenyl)piperazine-1-carboxamide
SMILESCC(C)(C)c1ccc(N2CCN(C(=O)Nc3ccccc3C#N)CC2)cc1
InChIInChI=1S/C22H26N4O/c1-22(2,3)18-8-10-19(11-9-18)25-12-14-26(15-13-25)21(27)24-20-7-5-4-6-17(20)16-23/h4-11H,12-15H2,1-3H3,(H,24,27)
InChIKeyDGFPVEGKLRQNAQ-UHFFFAOYSA-N
MW362.48 g/mol
LogP4.21
Rot. Bonds2

About 4-(4-tert-butylphenyl)-N-(2-cyanophenyl)piperazine-1-carboxamide

4-(4-tert-butylphenyl)-N-(2-cyanophenyl)piperazine-1-carboxamide (PubChem CID 113112681) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is 4-(4-tert-butylphenyl)-N-(2-cyanophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-tert-butylphenyl)-N-(2-cyanophenyl)piperazine-1-carboxamide
PubChem CID113112681
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name4-(4-tert-butylphenyl)-N-(2-cyanophenyl)piperazine-1-carboxamide
SMILESCC(C)(C)c1ccc(N2CCN(C(=O)Nc3ccccc3C#N)CC2)cc1
InChIInChI=1S/C22H26N4O/c1-22(2,3)18-8-10-19(11-9-18)25-12-14-26(15-13-25)21(27)24-20-7-5-4-6-17(20)16-23/h4-11H,12-15H2,1-3H3,(H,24,27)
InChIKeyDGFPVEGKLRQNAQ-UHFFFAOYSA-N
XLogP4.21
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-acetylphenyl)-N-(2-cyanophenyl)piperazine-1-carboxamide
CID 113114212
N-(2-cyanophenyl)-4-(4-ethoxyphenyl)piperazine-1-carboxamide
CID 113113758
N-(2-cyanophenyl)-4-(2,5-dimethylphenyl)piperazine-1-carboxamide
CID 113111543
N-(2-cyanophenyl)-4-pentylpiperazine-1-carboxamide
CID 113110841
4-(4-tert-butylphenyl)-N-(2,4-difluorophenyl)piperazine-1-carboxamide
CID 113112680
N-(2-cyanophenyl)-2,2-dimethyl-N'-(4-piperidin-1-ylphenyl)propanediamide
CID 108969928
3-[4-(4-tert-butylphenyl)piperazin-1-yl]-3-oxopropanenitrile
CID 145226215
4-(4-tert-butylphenyl)-N-propan-2-ylpiperazine-1-carboxamide
CID 113076586
N-(2-cyanophenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide
CID 2100948
N-(2-cyanophenyl)-2-(4-phenylpiperazin-1-yl)propanamide
CID 46800715
N-(2-cyanophenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]propanamide
CID 51167878
1-[4-(4-tert-butylphenyl)piperazin-1-yl]ethanone
CID 20590526

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenyl)-N-(2-cyanophenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(4-tert-butylphenyl)-N-(2-cyanophenyl)piperazine-1-carboxamide (CID 113112681) is 4-(4-tert-butylphenyl)-N-(2-cyanophenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-tert-butylphenyl)-N-(2-cyanophenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(4-tert-butylphenyl)-N-(2-cyanophenyl)piperazine-1-carboxamide is CC(C)(C)c1ccc(N2CCN(C(=O)Nc3ccccc3C#N)CC2)cc1.
What is the InChIKey of 4-(4-tert-butylphenyl)-N-(2-cyanophenyl)piperazine-1-carboxamide?
The InChIKey is DGFPVEGKLRQNAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-22(2,3)18-8-10-19(11-9-18)25-12-14-26(15-13-25)21(27)24-20-7-5-4-6-17(20)16-23/h4-11H,12-15H2,1-3H3,(H,24,27).
What are the key properties of 4-(4-tert-butylphenyl)-N-(2-cyanophenyl)piperazine-1-carboxamide?
4-(4-tert-butylphenyl)-N-(2-cyanophenyl)piperazine-1-carboxamide has a molecular weight of 362.48 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylphenyl)-N-(2-cyanophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113112681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).