4-[4-(dimethylamino)phenyl]-N-(2-fluorophenyl)piperazine-1-carboxamide

C19H23FN4O — CID 113112737

IUPAC4-[4-(dimethylamino)phenyl]-N-(2-fluorophenyl)piperazine-1-carboxamide
SMILESCN(C)c1ccc(N2CCN(C(=O)Nc3ccccc3F)CC2)cc1
InChIInChI=1S/C19H23FN4O/c1-22(2)15-7-9-16(10-8-15)23-11-13-24(14-12-23)19(25)21-18-6-4-3-5-17(18)20/h3-10H,11-14H2,1-2H3,(H,21,25)
InChIKeyHGCDHBPUSULGHY-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.25
Rot. Bonds3

About 4-[4-(dimethylamino)phenyl]-N-(2-fluorophenyl)piperazine-1-carboxamide

4-[4-(dimethylamino)phenyl]-N-(2-fluorophenyl)piperazine-1-carboxamide (PubChem CID 113112737) has the molecular formula C19H23FN4O and a molecular weight of 342.42 g/mol. Its IUPAC name is 4-[4-(dimethylamino)phenyl]-N-(2-fluorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[4-(dimethylamino)phenyl]-N-(2-fluorophenyl)piperazine-1-carboxamide
PubChem CID113112737
Molecular FormulaC19H23FN4O
Molecular Weight342.42 g/mol
Exact Mass342.19
IUPAC Name4-[4-(dimethylamino)phenyl]-N-(2-fluorophenyl)piperazine-1-carboxamide
SMILESCN(C)c1ccc(N2CCN(C(=O)Nc3ccccc3F)CC2)cc1
InChIInChI=1S/C19H23FN4O/c1-22(2)15-7-9-16(10-8-15)23-11-13-24(14-12-23)19(25)21-18-6-4-3-5-17(18)20/h3-10H,11-14H2,1-2H3,(H,21,25)
InChIKeyHGCDHBPUSULGHY-UHFFFAOYSA-N
XLogP3.25
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-(3,4-difluorophenyl)-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 113112770
4-[5-(dimethylamino)pyridazin-3-yl]-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 91968748
N-(2,4-dichlorophenyl)-4-[4-(dimethylamino)phenyl]piperazine-1-carboxamide
CID 113114419
ethyl 4-[4-[(2-fluorophenyl)carbamoyl]piperazin-1-yl]benzoate
CID 113112754
4-[4-(dimethylamino)phenyl]-N-quinolin-8-ylpiperazine-1-carboxamide
CID 113114415
4-[4-(dimethylamino)phenyl]-N-(2,5-dimethylphenyl)piperazine-1-carboxamide
CID 113111579
4-(2,6-dimethylphenyl)-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 113111831
4-[4-(dimethylamino)phenyl]-N-propan-2-ylpiperazine-1-carboxamide
CID 113078773
(2-chloro-6-fluorophenyl)-[4-[4-(dimethylamino)phenyl]piperazin-1-yl]methanone
CID 113078755
methyl 4-[[4-[4-(dimethylamino)phenyl]piperazine-1-carbonyl]amino]benzoate
CID 113114384
N-(2-methylphenyl)-4-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide
CID 113111145
N-(2-hydroxyphenyl)-4-phenylpiperazine-1-carboxamide
CID 108871577

Frequently Asked Questions

What is the IUPAC name of 4-[4-(dimethylamino)phenyl]-N-(2-fluorophenyl)piperazine-1-carboxamide?
The IUPAC name of 4-[4-(dimethylamino)phenyl]-N-(2-fluorophenyl)piperazine-1-carboxamide (CID 113112737) is 4-[4-(dimethylamino)phenyl]-N-(2-fluorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[4-(dimethylamino)phenyl]-N-(2-fluorophenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[4-(dimethylamino)phenyl]-N-(2-fluorophenyl)piperazine-1-carboxamide is CN(C)c1ccc(N2CCN(C(=O)Nc3ccccc3F)CC2)cc1.
What is the InChIKey of 4-[4-(dimethylamino)phenyl]-N-(2-fluorophenyl)piperazine-1-carboxamide?
The InChIKey is HGCDHBPUSULGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O/c1-22(2)15-7-9-16(10-8-15)23-11-13-24(14-12-23)19(25)21-18-6-4-3-5-17(18)20/h3-10H,11-14H2,1-2H3,(H,21,25).
What are the key properties of 4-[4-(dimethylamino)phenyl]-N-(2-fluorophenyl)piperazine-1-carboxamide?
4-[4-(dimethylamino)phenyl]-N-(2-fluorophenyl)piperazine-1-carboxamide has a molecular weight of 342.42 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(dimethylamino)phenyl]-N-(2-fluorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113112737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).