4-(4-tert-butylphenyl)-N-(2,4-difluorophenyl)piperazine-1-carboxamide

C21H25F2N3O — CID 113112680

IUPAC4-(4-tert-butylphenyl)-N-(2,4-difluorophenyl)piperazine-1-carboxamide
SMILESCC(C)(C)c1ccc(N2CCN(C(=O)Nc3ccc(F)cc3F)CC2)cc1
InChIInChI=1S/C21H25F2N3O/c1-21(2,3)15-4-7-17(8-5-15)25-10-12-26(13-11-25)20(27)24-19-9-6-16(22)14-18(19)23/h4-9,14H,10-13H2,1-3H3,(H,24,27)
InChIKeyHRVHYWTWMFXCGT-UHFFFAOYSA-N
MW373.45 g/mol
LogP4.62
Rot. Bonds2

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

4-(4-tert-butylphenyl)-N-(2,4-difluorophenyl)piperazine-1-carboxamide (PubChem CID 113112680) has the molecular formula C21H25F2N3O and a molecular weight of 373.45 g/mol. Its IUPAC name is 4-(4-tert-butylphenyl)-N-(2,4-difluorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-tert-butylphenyl)-N-(2,4-difluorophenyl)piperazine-1-carboxamide
PubChem CID113112680
Molecular FormulaC21H25F2N3O
Molecular Weight373.45 g/mol
Exact Mass373.20
IUPAC Name4-(4-tert-butylphenyl)-N-(2,4-difluorophenyl)piperazine-1-carboxamide
SMILESCC(C)(C)c1ccc(N2CCN(C(=O)Nc3ccc(F)cc3F)CC2)cc1
InChIInChI=1S/C21H25F2N3O/c1-21(2,3)15-4-7-17(8-5-15)25-10-12-26(13-11-25)20(27)24-19-9-6-16(22)14-18(19)23/h4-9,14H,10-13H2,1-3H3,(H,24,27)
InChIKeyHRVHYWTWMFXCGT-UHFFFAOYSA-N
XLogP4.62
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(4-tert-butylphenyl)-N-(2,4-difluorophenyl)piperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[3,5-bis(trifluoromethyl)phenyl]-N-(2,4-difluorophenyl)piperazine-1-carboxamide
CID 42705399
N-(2,4-difluorophenyl)-4-(4-nitrophenyl)piperazine-1-carboxamide
CID 2955750
N-(2,4-difluorophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 1329053
4-(2-tert-butylphenyl)-N-(2,4-difluorophenyl)piperazine-1-carboxamide
CID 113112616
N-(2,4-difluorophenyl)-4-(2-hydroxyphenyl)piperazine-1-carboxamide
CID 27869266
N-(2,5-difluorophenyl)-4-(4-methoxyphenyl)piperazine-1-carboxamide
CID 3258791
N-(2,4-difluorophenyl)-4-(morpholine-4-carbonyl)piperazine-1-carboxamide
CID 51307317
N-(2,4-difluorophenyl)piperazine-1-carboxamide
CID 43288448
4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(2,4-difluorophenyl)benzamide
CID 110426763
N-(2,4-difluorophenyl)-4-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 56919621
4-(4-methylphenyl)-N-(2,4,6-trifluorophenyl)piperazine-1-carboxamide
CID 70949261
N-(2,4-difluorophenyl)-4-(methylamino)piperidine-1-carboxamide
CID 60819455

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenyl)-N-(2,4-difluorophenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(4-tert-butylphenyl)-N-(2,4-difluorophenyl)piperazine-1-carboxamide (CID 113112680) is 4-(4-tert-butylphenyl)-N-(2,4-difluorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-tert-butylphenyl)-N-(2,4-difluorophenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(4-tert-butylphenyl)-N-(2,4-difluorophenyl)piperazine-1-carboxamide is CC(C)(C)c1ccc(N2CCN(C(=O)Nc3ccc(F)cc3F)CC2)cc1.
What is the InChIKey of 4-(4-tert-butylphenyl)-N-(2,4-difluorophenyl)piperazine-1-carboxamide?
The InChIKey is HRVHYWTWMFXCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F2N3O/c1-21(2,3)15-4-7-17(8-5-15)25-10-12-26(13-11-25)20(27)24-19-9-6-16(22)14-18(19)23/h4-9,14H,10-13H2,1-3H3,(H,24,27).
What are the key properties of 4-(4-tert-butylphenyl)-N-(2,4-difluorophenyl)piperazine-1-carboxamide?
4-(4-tert-butylphenyl)-N-(2,4-difluorophenyl)piperazine-1-carboxamide has a molecular weight of 373.45 g/mol, XLogP of 4.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylphenyl)-N-(2,4-difluorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113112680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).