4-(2-tert-butylphenyl)-N-(3-cyanophenyl)piperazine-1-carboxamide

C22H26N4O — CID 113112618

IUPAC4-(2-tert-butylphenyl)-N-(3-cyanophenyl)piperazine-1-carboxamide
SMILESCC(C)(C)c1ccccc1N1CCN(C(=O)Nc2cccc(C#N)c2)CC1
InChIInChI=1S/C22H26N4O/c1-22(2,3)19-9-4-5-10-20(19)25-11-13-26(14-12-25)21(27)24-18-8-6-7-17(15-18)16-23/h4-10,15H,11-14H2,1-3H3,(H,24,27)
InChIKeyNZAMZFHCQRQYDE-UHFFFAOYSA-N
MW362.48 g/mol
LogP4.21
Rot. Bonds2

About 4-(2-tert-butylphenyl)-N-(3-cyanophenyl)piperazine-1-carboxamide

4-(2-tert-butylphenyl)-N-(3-cyanophenyl)piperazine-1-carboxamide (PubChem CID 113112618) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is 4-(2-tert-butylphenyl)-N-(3-cyanophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-tert-butylphenyl)-N-(3-cyanophenyl)piperazine-1-carboxamide
PubChem CID113112618
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name4-(2-tert-butylphenyl)-N-(3-cyanophenyl)piperazine-1-carboxamide
SMILESCC(C)(C)c1ccccc1N1CCN(C(=O)Nc2cccc(C#N)c2)CC1
InChIInChI=1S/C22H26N4O/c1-22(2,3)19-9-4-5-10-20(19)25-11-13-26(14-12-25)21(27)24-18-8-6-7-17(15-18)16-23/h4-10,15H,11-14H2,1-3H3,(H,24,27)
InChIKeyNZAMZFHCQRQYDE-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

N-(3-cyanophenyl)-4-(2-ethoxyphenyl)piperazine-1-carboxamide
CID 113113682
N-(3-cyanophenyl)-4-(2,3-dichlorophenyl)piperazine-1-carboxamide
CID 113114825
4-(3-cyanophenyl)-N-(3-methylphenyl)piperazine-1-carboxamide
CID 113111248
N-(3-acetylphenyl)-4-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 113114078
N-(3-cyanophenyl)-4-[2-(dimethylamino)ethyl]piperazine-1-carboxamide
CID 113105776
4-(3-cyanophenyl)-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 113113611
N-(3-cyanophenyl)-3-hydroxy-4-methylpiperidine-1-carboxamide
CID 103896286
4-(2-tert-butylphenyl)-N-(2,4-difluorophenyl)piperazine-1-carboxamide
CID 113112616
N-(3-cyanophenyl)-3,5-dimethylpiperazine-1-carboxamide
CID 63872709
4-(3-cyanophenyl)-N-(4-methylphenyl)piperazine-1-carboxamide
CID 113111408
N-(3-acetamidophenyl)-4-(2-hydroxyphenyl)piperazine-1-carboxamide
CID 55696051
N-(3-cyanophenyl)-4-[(2S)-1-methoxypropan-2-yl]piperazine-1-carboxamide
CID 95333968

Frequently Asked Questions

What is the IUPAC name of 4-(2-tert-butylphenyl)-N-(3-cyanophenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(2-tert-butylphenyl)-N-(3-cyanophenyl)piperazine-1-carboxamide (CID 113112618) is 4-(2-tert-butylphenyl)-N-(3-cyanophenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-tert-butylphenyl)-N-(3-cyanophenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(2-tert-butylphenyl)-N-(3-cyanophenyl)piperazine-1-carboxamide is CC(C)(C)c1ccccc1N1CCN(C(=O)Nc2cccc(C#N)c2)CC1.
What is the InChIKey of 4-(2-tert-butylphenyl)-N-(3-cyanophenyl)piperazine-1-carboxamide?
The InChIKey is NZAMZFHCQRQYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-22(2,3)19-9-4-5-10-20(19)25-11-13-26(14-12-25)21(27)24-18-8-6-7-17(15-18)16-23/h4-10,15H,11-14H2,1-3H3,(H,24,27).
What are the key properties of 4-(2-tert-butylphenyl)-N-(3-cyanophenyl)piperazine-1-carboxamide?
4-(2-tert-butylphenyl)-N-(3-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-(2-tert-butylphenyl)-N-(3-cyanophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113112618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).