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

C19H22FN3O — CID 113111831

IUPAC4-(2,6-dimethylphenyl)-N-(2-fluorophenyl)piperazine-1-carboxamide
SMILESCc1cccc(C)c1N1CCN(C(=O)Nc2ccccc2F)CC1
InChIInChI=1S/C19H22FN3O/c1-14-6-5-7-15(2)18(14)22-10-12-23(13-11-22)19(24)21-17-9-4-3-8-16(17)20/h3-9H,10-13H2,1-2H3,(H,21,24)
InChIKeyFHYHAGDDJJUQDE-UHFFFAOYSA-N
MW327.40 g/mol
LogP3.80
Rot. Bonds2

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

4-(2,6-dimethylphenyl)-N-(2-fluorophenyl)piperazine-1-carboxamide (PubChem CID 113111831) has the molecular formula C19H22FN3O and a molecular weight of 327.40 g/mol. Its IUPAC name is 4-(2,6-dimethylphenyl)-N-(2-fluorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2,6-dimethylphenyl)-N-(2-fluorophenyl)piperazine-1-carboxamide
PubChem CID113111831
Molecular FormulaC19H22FN3O
Molecular Weight327.40 g/mol
Exact Mass327.17
IUPAC Name4-(2,6-dimethylphenyl)-N-(2-fluorophenyl)piperazine-1-carboxamide
SMILESCc1cccc(C)c1N1CCN(C(=O)Nc2ccccc2F)CC1
InChIInChI=1S/C19H22FN3O/c1-14-6-5-7-15(2)18(14)22-10-12-23(13-11-22)19(24)21-17-9-4-3-8-16(17)20/h3-9H,10-13H2,1-2H3,(H,21,24)
InChIKeyFHYHAGDDJJUQDE-UHFFFAOYSA-N
XLogP3.80
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-2-methylphenyl)-4-(2,6-dimethylphenyl)piperazine-1-carboxamide
CID 113111834
4-(5-chloro-2-methylphenyl)-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 6467007
N-(2,5-dimethylphenyl)-4-(2,6-dimethylphenyl)piperazine-1-carboxamide
CID 23829397
4-(2,6-difluorophenyl)-N-(2-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113112333
4-(2,6-difluorophenyl)-N-(2,5-dimethylphenyl)piperazine-1-carboxamide
CID 113111598
4-(2,6-difluorophenyl)-N-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113113918
N-(4-acetamidophenyl)-4-(2,6-dimethylphenyl)piperazine-1-carboxamide
CID 113111849
4-(3,4-difluorophenyl)-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 113112770
4-[4-(dimethylamino)phenyl]-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 113112737
4-(2,6-dimethylphenyl)-N-(3,4-dimethylphenyl)piperazine-1-carboxamide
CID 113111667
N-(2-methoxyphenyl)-4-(2-methyl-6-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113112535
ethyl 4-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]benzoate
CID 113112754

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethylphenyl)-N-(2-fluorophenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(2,6-dimethylphenyl)-N-(2-fluorophenyl)piperazine-1-carboxamide (CID 113111831) is 4-(2,6-dimethylphenyl)-N-(2-fluorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(2,6-dimethylphenyl)-N-(2-fluorophenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(2,6-dimethylphenyl)-N-(2-fluorophenyl)piperazine-1-carboxamide is Cc1cccc(C)c1N1CCN(C(=O)Nc2ccccc2F)CC1.
What is the InChIKey of 4-(2,6-dimethylphenyl)-N-(2-fluorophenyl)piperazine-1-carboxamide?
The InChIKey is FHYHAGDDJJUQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O/c1-14-6-5-7-15(2)18(14)22-10-12-23(13-11-22)19(24)21-17-9-4-3-8-16(17)20/h3-9H,10-13H2,1-2H3,(H,21,24).
What are the key properties of 4-(2,6-dimethylphenyl)-N-(2-fluorophenyl)piperazine-1-carboxamide?
4-(2,6-dimethylphenyl)-N-(2-fluorophenyl)piperazine-1-carboxamide has a molecular weight of 327.40 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethylphenyl)-N-(2-fluorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113111831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).