N-(4-tert-butylphenyl)-4-(2,6-difluorophenyl)piperazine-1-carboxamide

C21H25F2N3O — CID 113112711

IUPACN-(4-tert-butylphenyl)-4-(2,6-difluorophenyl)piperazine-1-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)N2CCN(c3c(F)cccc3F)CC2)cc1
InChIInChI=1S/C21H25F2N3O/c1-21(2,3)15-7-9-16(10-8-15)24-20(27)26-13-11-25(12-14-26)19-17(22)5-4-6-18(19)23/h4-10H,11-14H2,1-3H3,(H,24,27)
InChIKeyQARSMJHZEXVODF-UHFFFAOYSA-N
MW373.45 g/mol
LogP4.62
Rot. Bonds2

About N-(4-tert-butylphenyl)-4-(2,6-difluorophenyl)piperazine-1-carboxamide

N-(4-tert-butylphenyl)-4-(2,6-difluorophenyl)piperazine-1-carboxamide (PubChem CID 113112711) has the molecular formula C21H25F2N3O and a molecular weight of 373.45 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-4-(2,6-difluorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-4-(2,6-difluorophenyl)piperazine-1-carboxamide
PubChem CID113112711
Molecular FormulaC21H25F2N3O
Molecular Weight373.45 g/mol
Exact Mass373.20
IUPAC NameN-(4-tert-butylphenyl)-4-(2,6-difluorophenyl)piperazine-1-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)N2CCN(c3c(F)cccc3F)CC2)cc1
InChIInChI=1S/C21H25F2N3O/c1-21(2,3)15-7-9-16(10-8-15)24-20(27)26-13-11-25(12-14-26)19-17(22)5-4-6-18(19)23/h4-10H,11-14H2,1-3H3,(H,24,27)
InChIKeyQARSMJHZEXVODF-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

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Related Compounds

N-(4-acetylphenyl)-4-(2,6-difluorophenyl)piperazine-1-carboxamide
CID 113114241
N-tert-butyl-4-(2,6-difluorophenyl)piperazine-1-carboxamide
CID 113110475
N-(4-tert-butylphenyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 108884869
N-(4-tert-butylphenyl)-4-(2-methylsulfanylphenyl)piperazine-1-carboxamide
CID 3690834
methyl 4-[(4-tert-butylphenyl)carbamoyl]piperazine-1-carboxylate
CID 108884940
N-(4-tert-butylphenyl)-4-ethylpiperazine-1-carboxamide
CID 108884847
N-(4-tert-butylphenyl)-4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazine-1-carboxamide
CID 90507044
4-(3-fluoro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 10172493
N-(4-acetamidophenyl)-4-(2,6-dimethylphenyl)piperazine-1-carboxamide
CID 113111849
4-(2,6-difluorophenyl)-N-(2-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113112333
N-(4-tert-butylphenyl)-4-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
CID 113107573
4-(2,6-difluorophenyl)-N-(2,5-dimethylphenyl)piperazine-1-carboxamide
CID 113111598

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-4-(2,6-difluorophenyl)piperazine-1-carboxamide?
The IUPAC name of N-(4-tert-butylphenyl)-4-(2,6-difluorophenyl)piperazine-1-carboxamide (CID 113112711) is N-(4-tert-butylphenyl)-4-(2,6-difluorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-4-(2,6-difluorophenyl)piperazine-1-carboxamide?
The canonical SMILES for N-(4-tert-butylphenyl)-4-(2,6-difluorophenyl)piperazine-1-carboxamide is CC(C)(C)c1ccc(NC(=O)N2CCN(c3c(F)cccc3F)CC2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-4-(2,6-difluorophenyl)piperazine-1-carboxamide?
The InChIKey is QARSMJHZEXVODF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F2N3O/c1-21(2,3)15-7-9-16(10-8-15)24-20(27)26-13-11-25(12-14-26)19-17(22)5-4-6-18(19)23/h4-10H,11-14H2,1-3H3,(H,24,27).
What are the key properties of N-(4-tert-butylphenyl)-4-(2,6-difluorophenyl)piperazine-1-carboxamide?
N-(4-tert-butylphenyl)-4-(2,6-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 N-(4-tert-butylphenyl)-4-(2,6-difluorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113112711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).