N-(3-bromo-4-methylphenyl)-4-(2-methylphenyl)piperazine-1-carboxamide

C19H22BrN3O — CID 113111047

IUPACN-(3-bromo-4-methylphenyl)-4-(2-methylphenyl)piperazine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCN(c3ccccc3C)CC2)cc1Br
InChIInChI=1S/C19H22BrN3O/c1-14-7-8-16(13-17(14)20)21-19(24)23-11-9-22(10-12-23)18-6-4-3-5-15(18)2/h3-8,13H,9-12H2,1-2H3,(H,21,24)
InChIKeyDEXNLCJJQBWHDJ-UHFFFAOYSA-N
MW388.31 g/mol
LogP4.42
Rot. Bonds2

About N-(3-bromo-4-methylphenyl)-4-(2-methylphenyl)piperazine-1-carboxamide

N-(3-bromo-4-methylphenyl)-4-(2-methylphenyl)piperazine-1-carboxamide (PubChem CID 113111047) has the molecular formula C19H22BrN3O and a molecular weight of 388.31 g/mol. Its IUPAC name is N-(3-bromo-4-methylphenyl)-4-(2-methylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-4-methylphenyl)-4-(2-methylphenyl)piperazine-1-carboxamide
PubChem CID113111047
Molecular FormulaC19H22BrN3O
Molecular Weight388.31 g/mol
Exact Mass387.09
IUPAC NameN-(3-bromo-4-methylphenyl)-4-(2-methylphenyl)piperazine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCN(c3ccccc3C)CC2)cc1Br
InChIInChI=1S/C19H22BrN3O/c1-14-7-8-16(13-17(14)20)21-19(24)23-11-9-22(10-12-23)18-6-4-3-5-15(18)2/h3-8,13H,9-12H2,1-2H3,(H,21,24)
InChIKeyDEXNLCJJQBWHDJ-UHFFFAOYSA-N
XLogP4.42
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.31
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-bromo-4-methylphenyl)-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 78874638
N-(3,4-dimethoxyphenyl)-4-(2-methylphenyl)piperazine-1-carboxamide
CID 113111056
N-(3-bromo-4-methylphenyl)-4-(3-fluorophenyl)piperazine-1-carboxamide
CID 113113496
N-(4-methoxyphenyl)-4-(2-methylphenyl)piperazine-1-carboxamide
CID 30938006
methyl 4-[[4-(2-methylphenyl)piperazine-1-carbonyl]amino]benzoate
CID 113111065
4-(2-methylphenyl)-N-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide
CID 113111071
N-(3,4-dimethylphenyl)-4-(2-morpholin-4-ylphenyl)piperazine-1-carboxamide
CID 113111700
4-(2-methylphenyl)-N-(3-nitrophenyl)piperazine-1-carboxamide
CID 31771873
4-(2-hydroxyphenyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 86988121
4-(2-bromophenyl)-N-phenylpiperazine-1-carboxamide
CID 113079371
4-(2,6-dimethylphenyl)-N-(3,4-dimethylphenyl)piperazine-1-carboxamide
CID 113111667
N-(3,4-difluorophenyl)-4-(2,5-dimethylphenyl)piperazine-1-carboxamide
CID 113111547

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methylphenyl)-4-(2-methylphenyl)piperazine-1-carboxamide?
The IUPAC name of N-(3-bromo-4-methylphenyl)-4-(2-methylphenyl)piperazine-1-carboxamide (CID 113111047) is N-(3-bromo-4-methylphenyl)-4-(2-methylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(3-bromo-4-methylphenyl)-4-(2-methylphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-(3-bromo-4-methylphenyl)-4-(2-methylphenyl)piperazine-1-carboxamide is Cc1ccc(NC(=O)N2CCN(c3ccccc3C)CC2)cc1Br.
What is the InChIKey of N-(3-bromo-4-methylphenyl)-4-(2-methylphenyl)piperazine-1-carboxamide?
The InChIKey is DEXNLCJJQBWHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrN3O/c1-14-7-8-16(13-17(14)20)21-19(24)23-11-9-22(10-12-23)18-6-4-3-5-15(18)2/h3-8,13H,9-12H2,1-2H3,(H,21,24).
What are the key properties of N-(3-bromo-4-methylphenyl)-4-(2-methylphenyl)piperazine-1-carboxamide?
N-(3-bromo-4-methylphenyl)-4-(2-methylphenyl)piperazine-1-carboxamide has a molecular weight of 388.31 g/mol, XLogP of 4.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methylphenyl)-4-(2-methylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113111047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).