4-(2,6-difluorophenyl)-N-(2,5-dimethylphenyl)piperazine-1-carboxamide

C19H21F2N3O — CID 113111598

IUPAC4-(2,6-difluorophenyl)-N-(2,5-dimethylphenyl)piperazine-1-carboxamide
SMILESCc1ccc(C)c(NC(=O)N2CCN(c3c(F)cccc3F)CC2)c1
InChIInChI=1S/C19H21F2N3O/c1-13-6-7-14(2)17(12-13)22-19(25)24-10-8-23(9-11-24)18-15(20)4-3-5-16(18)21/h3-7,12H,8-11H2,1-2H3,(H,22,25)
InChIKeyMDUCKZVZQJFQEK-UHFFFAOYSA-N
MW345.39 g/mol
LogP3.94
Rot. Bonds2

About 4-(2,6-difluorophenyl)-N-(2,5-dimethylphenyl)piperazine-1-carboxamide

4-(2,6-difluorophenyl)-N-(2,5-dimethylphenyl)piperazine-1-carboxamide (PubChem CID 113111598) has the molecular formula C19H21F2N3O and a molecular weight of 345.39 g/mol. Its IUPAC name is 4-(2,6-difluorophenyl)-N-(2,5-dimethylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2,6-difluorophenyl)-N-(2,5-dimethylphenyl)piperazine-1-carboxamide
PubChem CID113111598
Molecular FormulaC19H21F2N3O
Molecular Weight345.39 g/mol
Exact Mass345.17
IUPAC Name4-(2,6-difluorophenyl)-N-(2,5-dimethylphenyl)piperazine-1-carboxamide
SMILESCc1ccc(C)c(NC(=O)N2CCN(c3c(F)cccc3F)CC2)c1
InChIInChI=1S/C19H21F2N3O/c1-13-6-7-14(2)17(12-13)22-19(25)24-10-8-23(9-11-24)18-15(20)4-3-5-16(18)21/h3-7,12H,8-11H2,1-2H3,(H,22,25)
InChIKeyMDUCKZVZQJFQEK-UHFFFAOYSA-N
XLogP3.94
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.39
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,5-dimethylphenyl)-4-(2,6-dimethylphenyl)piperazine-1-carboxamide
CID 23829397
4-(2,4-difluorophenyl)-N-(2,5-dimethylphenyl)piperazine-1-carboxamide
CID 113111591
N-(2,5-dimethylphenyl)-4-(6-methyl-2-pyridinyl)piperazine-1-carboxamide
CID 3680055
4-(2,6-dimethylphenyl)-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 113111831
4-(2,6-difluorophenyl)-N-(2-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113112333
N-(2,5-dimethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoacetamide
CID 44902723
N-tert-butyl-4-(2,6-difluorophenyl)piperazine-1-carboxamide
CID 113110475
4-[4-(dimethylamino)phenyl]-N-(2,5-dimethylphenyl)piperazine-1-carboxamide
CID 113111579
N-(2-fluoro-5-methylphenyl)pyrrolidine-1-carboxamide
CID 47032428
4-(2,6-difluorophenyl)-N-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113113918
4-(aminosulfanylmethyl)-N-(2,5-dimethylphenyl)piperazine-1-carboxamide
CID 141244559
N-(2,5-dimethylphenyl)-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide
CID 6466682

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-difluorophenyl)-N-(2,5-dimethylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(2,6-difluorophenyl)-N-(2,5-dimethylphenyl)piperazine-1-carboxamide (CID 113111598) is 4-(2,6-difluorophenyl)-N-(2,5-dimethylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(2,6-difluorophenyl)-N-(2,5-dimethylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(2,6-difluorophenyl)-N-(2,5-dimethylphenyl)piperazine-1-carboxamide is Cc1ccc(C)c(NC(=O)N2CCN(c3c(F)cccc3F)CC2)c1.
What is the InChIKey of 4-(2,6-difluorophenyl)-N-(2,5-dimethylphenyl)piperazine-1-carboxamide?
The InChIKey is MDUCKZVZQJFQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3O/c1-13-6-7-14(2)17(12-13)22-19(25)24-10-8-23(9-11-24)18-15(20)4-3-5-16(18)21/h3-7,12H,8-11H2,1-2H3,(H,22,25).
What are the key properties of 4-(2,6-difluorophenyl)-N-(2,5-dimethylphenyl)piperazine-1-carboxamide?
4-(2,6-difluorophenyl)-N-(2,5-dimethylphenyl)piperazine-1-carboxamide has a molecular weight of 345.39 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-difluorophenyl)-N-(2,5-dimethylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113111598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).