N-(2,6-difluorophenyl)-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide

C19H21F2N3O — CID 113107101

IUPACN-(2,6-difluorophenyl)-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide
SMILESCc1ccc(CN2CCN(C(=O)Nc3c(F)cccc3F)CC2)cc1
InChIInChI=1S/C19H21F2N3O/c1-14-5-7-15(8-6-14)13-23-9-11-24(12-10-23)19(25)22-18-16(20)3-2-4-17(18)21/h2-8H,9-13H2,1H3,(H,22,25)
InChIKeyWZOFYLAAODQHGY-UHFFFAOYSA-N
MW345.39 g/mol
LogP3.62
Rot. Bonds3

About N-(2,6-difluorophenyl)-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide

N-(2,6-difluorophenyl)-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide (PubChem CID 113107101) has the molecular formula C19H21F2N3O and a molecular weight of 345.39 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide
PubChem CID113107101
Molecular FormulaC19H21F2N3O
Molecular Weight345.39 g/mol
Exact Mass345.17
IUPAC NameN-(2,6-difluorophenyl)-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide
SMILESCc1ccc(CN2CCN(C(=O)Nc3c(F)cccc3F)CC2)cc1
InChIInChI=1S/C19H21F2N3O/c1-14-5-7-15(8-6-14)13-23-9-11-24(12-10-23)19(25)22-18-16(20)3-2-4-17(18)21/h2-8H,9-13H2,1H3,(H,22,25)
InChIKeyWZOFYLAAODQHGY-UHFFFAOYSA-N
XLogP3.62
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.39
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-methylphenyl)methyl]-N-(2,4,6-trimethylphenyl)piperazine-1-carboxamide
CID 113107050
4-[(4-chlorophenyl)methyl]-N-(2,6-dimethylphenyl)piperazine-1-carboxamide
CID 113107875
2-[[4-[(4-methylphenyl)methyl]piperazine-1-carbonyl]amino]benzoic acid
CID 69297960
N-(2,5-dimethylphenyl)-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide
CID 6466682
N-(2,3-dimethylphenyl)-4-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
CID 17297980
N-(2-fluorophenyl)-4-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 17184554
4-[(4-methylphenyl)methyl]-N-quinolin-8-ylpiperazine-1-carboxamide
CID 113107085
4-[(4-chlorophenyl)methyl]-N-(3,5-dimethylphenyl)piperazine-1-carboxamide
CID 113107874
[4-[(4-methylphenyl)methyl]piperazin-1-yl]-(2,3,4,5,6-pentafluorophenyl)methanone
CID 25236881
4-(4-methylphenyl)-N-(2,4,6-trifluorophenyl)piperazine-1-carboxamide
CID 70949261
4-[(4-methylphenyl)methyl]-N-(2-methylpropyl)piperazine-1-carboxamide
CID 113104047
4-[(4-methylphenyl)methyl]-N-(2-phenylethyl)piperazine-1-carboxamide
CID 113107023

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide?
The IUPAC name of N-(2,6-difluorophenyl)-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide (CID 113107101) is N-(2,6-difluorophenyl)-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(2,6-difluorophenyl)-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide?
The canonical SMILES for N-(2,6-difluorophenyl)-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide is Cc1ccc(CN2CCN(C(=O)Nc3c(F)cccc3F)CC2)cc1.
What is the InChIKey of N-(2,6-difluorophenyl)-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide?
The InChIKey is WZOFYLAAODQHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3O/c1-14-5-7-15(8-6-14)13-23-9-11-24(12-10-23)19(25)22-18-16(20)3-2-4-17(18)21/h2-8H,9-13H2,1H3,(H,22,25).
What are the key properties of N-(2,6-difluorophenyl)-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide?
N-(2,6-difluorophenyl)-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide has a molecular weight of 345.39 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 113107101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).