N-(3,4-dimethylphenyl)-4-(2,3,4-trifluorophenyl)piperazine-1-carboxamide

C19H20F3N3O — CID 113111714

IUPACN-(3,4-dimethylphenyl)-4-(2,3,4-trifluorophenyl)piperazine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCN(c3ccc(F)c(F)c3F)CC2)cc1C
InChIInChI=1S/C19H20F3N3O/c1-12-3-4-14(11-13(12)2)23-19(26)25-9-7-24(8-10-25)16-6-5-15(20)17(21)18(16)22/h3-6,11H,7-10H2,1-2H3,(H,23,26)
InChIKeyAUUKLULBNWMVKW-UHFFFAOYSA-N
MW363.38 g/mol
LogP4.07
Rot. Bonds2

About N-(3,4-dimethylphenyl)-4-(2,3,4-trifluorophenyl)piperazine-1-carboxamide

N-(3,4-dimethylphenyl)-4-(2,3,4-trifluorophenyl)piperazine-1-carboxamide (PubChem CID 113111714) has the molecular formula C19H20F3N3O and a molecular weight of 363.38 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-4-(2,3,4-trifluorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-4-(2,3,4-trifluorophenyl)piperazine-1-carboxamide
PubChem CID113111714
Molecular FormulaC19H20F3N3O
Molecular Weight363.38 g/mol
Exact Mass363.16
IUPAC NameN-(3,4-dimethylphenyl)-4-(2,3,4-trifluorophenyl)piperazine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCN(c3ccc(F)c(F)c3F)CC2)cc1C
InChIInChI=1S/C19H20F3N3O/c1-12-3-4-14(11-13(12)2)23-19(26)25-9-7-24(8-10-25)16-6-5-15(20)17(21)18(16)22/h3-6,11H,7-10H2,1-2H3,(H,23,26)
InChIKeyAUUKLULBNWMVKW-UHFFFAOYSA-N
XLogP4.07
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-difluorophenyl)-4-(2,5-dimethylphenyl)piperazine-1-carboxamide
CID 113111547
N-(3,4-dimethylphenyl)-4-(2-morpholin-4-ylphenyl)piperazine-1-carboxamide
CID 113111700
4-(2,6-dimethylphenyl)-N-(3,4-dimethylphenyl)piperazine-1-carboxamide
CID 113111667
N-(3,4-dimethylphenyl)piperidine-1-carboxamide
CID 4216629
4-(4-chloro-2-methoxy-5-methylphenyl)-N-(3,4-dimethylphenyl)piperazine-1-carboxamide
CID 113111710
N-(3,4-dimethylphenyl)-4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazine-1-carboxamide
CID 90507000
4-(5-chloro-2-methylphenyl)-N-(3,4-dimethoxyphenyl)piperazine-1-carboxamide
CID 17300058
N-[2-(dimethylamino)ethyl]-4-(2,3,4-trifluorophenyl)piperazine-1-carboxamide
CID 113105892
N-(2-tert-butylphenyl)-4-(2,3,4-trifluorophenyl)piperazine-1-carboxamide
CID 113112648
4-(3,4-dimethylphenyl)-N-(3-fluorophenyl)piperazine-1-carboxamide
CID 113111648
2-[4-[(4-fluoro-3-methylphenyl)carbamoyl]piperazin-1-yl]acetic acid
CID 62812742
1-[(4-fluoro-3-methylphenyl)carbamoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63721839

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-4-(2,3,4-trifluorophenyl)piperazine-1-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-4-(2,3,4-trifluorophenyl)piperazine-1-carboxamide (CID 113111714) is N-(3,4-dimethylphenyl)-4-(2,3,4-trifluorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-4-(2,3,4-trifluorophenyl)piperazine-1-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-4-(2,3,4-trifluorophenyl)piperazine-1-carboxamide is Cc1ccc(NC(=O)N2CCN(c3ccc(F)c(F)c3F)CC2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-4-(2,3,4-trifluorophenyl)piperazine-1-carboxamide?
The InChIKey is AUUKLULBNWMVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O/c1-12-3-4-14(11-13(12)2)23-19(26)25-9-7-24(8-10-25)16-6-5-15(20)17(21)18(16)22/h3-6,11H,7-10H2,1-2H3,(H,23,26).
What are the key properties of N-(3,4-dimethylphenyl)-4-(2,3,4-trifluorophenyl)piperazine-1-carboxamide?
N-(3,4-dimethylphenyl)-4-(2,3,4-trifluorophenyl)piperazine-1-carboxamide has a molecular weight of 363.38 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-4-(2,3,4-trifluorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113111714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).