N-(3,4-difluorophenyl)-4-(2,5-dimethylphenyl)piperazine-1-carboxamide

C19H21F2N3O — CID 113111547

IUPACN-(3,4-difluorophenyl)-4-(2,5-dimethylphenyl)piperazine-1-carboxamide
SMILESCc1ccc(C)c(N2CCN(C(=O)Nc3ccc(F)c(F)c3)CC2)c1
InChIInChI=1S/C19H21F2N3O/c1-13-3-4-14(2)18(11-13)23-7-9-24(10-8-23)19(25)22-15-5-6-16(20)17(21)12-15/h3-6,11-12H,7-10H2,1-2H3,(H,22,25)
InChIKeyRRSZCNPLADZYIG-UHFFFAOYSA-N
MW345.39 g/mol
LogP3.94
Rot. Bonds2

About N-(3,4-difluorophenyl)-4-(2,5-dimethylphenyl)piperazine-1-carboxamide

N-(3,4-difluorophenyl)-4-(2,5-dimethylphenyl)piperazine-1-carboxamide (PubChem CID 113111547) has the molecular formula C19H21F2N3O and a molecular weight of 345.39 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-4-(2,5-dimethylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-4-(2,5-dimethylphenyl)piperazine-1-carboxamide
PubChem CID113111547
Molecular FormulaC19H21F2N3O
Molecular Weight345.39 g/mol
Exact Mass345.17
IUPAC NameN-(3,4-difluorophenyl)-4-(2,5-dimethylphenyl)piperazine-1-carboxamide
SMILESCc1ccc(C)c(N2CCN(C(=O)Nc3ccc(F)c(F)c3)CC2)c1
InChIInChI=1S/C19H21F2N3O/c1-13-3-4-14(2)18(11-13)23-7-9-24(10-8-23)19(25)22-15-5-6-16(20)17(21)12-15/h3-6,11-12H,7-10H2,1-2H3,(H,22,25)
InChIKeyRRSZCNPLADZYIG-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-(3,4-dichlorophenyl)-4-(2,5-dimethylphenyl)piperazine-1-carboxamide
CID 17171501
4-(2,5-dimethylphenyl)-N-[4-(trifluoromethylsulfanyl)phenyl]piperazine-1-carboxamide
CID 3671524
4-(2,5-dimethylphenyl)-N-(4-pyrrolidin-1-ylphenyl)piperazine-1-carboxamide
CID 113111533
N-(1,3-benzodioxol-5-yl)-4-(2,5-dimethylphenyl)piperazine-1-carboxamide
CID 113111536
N-(3,4-dimethylphenyl)-4-(2,3,4-trifluorophenyl)piperazine-1-carboxamide
CID 113111714
N-(3,4-difluorophenyl)-4-methylpiperazine-1-carboxamide
CID 21019691
ethyl 4-[[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]amino]benzoate
CID 4995038
4-(5-chloro-2-methylphenyl)-N-(3,4-dimethoxyphenyl)piperazine-1-carboxamide
CID 17300058
N-(3,4-difluorophenyl)piperidine-1-carboxamide
CID 90728139
N-(3,4-difluorophenyl)-3-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide
CID 53076852
4-(2-methoxy-5-methylphenyl)-N-(4-methylphenyl)piperazine-1-carboxamide
CID 113111363
4-(3-chloro-4-fluorophenyl)-N-(3,4-difluorophenyl)piperazine-1-carboxamide
CID 113113338

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-4-(2,5-dimethylphenyl)piperazine-1-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-4-(2,5-dimethylphenyl)piperazine-1-carboxamide (CID 113111547) is N-(3,4-difluorophenyl)-4-(2,5-dimethylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-4-(2,5-dimethylphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-4-(2,5-dimethylphenyl)piperazine-1-carboxamide is Cc1ccc(C)c(N2CCN(C(=O)Nc3ccc(F)c(F)c3)CC2)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-4-(2,5-dimethylphenyl)piperazine-1-carboxamide?
The InChIKey is RRSZCNPLADZYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3O/c1-13-3-4-14(2)18(11-13)23-7-9-24(10-8-23)19(25)22-15-5-6-16(20)17(21)12-15/h3-6,11-12H,7-10H2,1-2H3,(H,22,25).
What are the key properties of N-(3,4-difluorophenyl)-4-(2,5-dimethylphenyl)piperazine-1-carboxamide?
N-(3,4-difluorophenyl)-4-(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 N-(3,4-difluorophenyl)-4-(2,5-dimethylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113111547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).