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

C19H22BrN3O2 — CID 78874638

IUPACN-(3-bromo-4-methylphenyl)-4-(2-methoxyphenyl)piperazine-1-carboxamide
SMILESCOc1ccccc1N1CCN(C(=O)Nc2ccc(C)c(Br)c2)CC1
InChIInChI=1S/C19H22BrN3O2/c1-14-7-8-15(13-16(14)20)21-19(24)23-11-9-22(10-12-23)17-5-3-4-6-18(17)25-2/h3-8,13H,9-12H2,1-2H3,(H,21,24)
InChIKeyLEPORWHVLTYUHG-UHFFFAOYSA-N
MW404.31 g/mol
LogP4.12
Rot. Bonds3

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

N-(3-bromo-4-methylphenyl)-4-(2-methoxyphenyl)piperazine-1-carboxamide (PubChem CID 78874638) has the molecular formula C19H22BrN3O2 and a molecular weight of 404.31 g/mol. Its IUPAC name is N-(3-bromo-4-methylphenyl)-4-(2-methoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-4-methylphenyl)-4-(2-methoxyphenyl)piperazine-1-carboxamide
PubChem CID78874638
Molecular FormulaC19H22BrN3O2
Molecular Weight404.31 g/mol
Exact Mass403.09
IUPAC NameN-(3-bromo-4-methylphenyl)-4-(2-methoxyphenyl)piperazine-1-carboxamide
SMILESCOc1ccccc1N1CCN(C(=O)Nc2ccc(C)c(Br)c2)CC1
InChIInChI=1S/C19H22BrN3O2/c1-14-7-8-15(13-16(14)20)21-19(24)23-11-9-22(10-12-23)17-5-3-4-6-18(17)25-2/h3-8,13H,9-12H2,1-2H3,(H,21,24)
InChIKeyLEPORWHVLTYUHG-UHFFFAOYSA-N
XLogP4.12
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.31
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromo-4-methylphenyl)-4-(2-methylphenyl)piperazine-1-carboxamide
CID 113111047
N-(3,4-dimethoxyphenyl)-4-(2-methylphenyl)piperazine-1-carboxamide
CID 113111056
N-(2,3-dihydro-1H-inden-5-yl)-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 17249760
N-(3-iodophenyl)-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 3347580
methyl 2-chloro-5-[[4-(2-methoxyphenyl)piperazine-1-carbonyl]amino]benzoate
CID 55740855
N-(3,4-dimethoxyphenyl)-4-(2-ethoxyphenyl)piperazine-1-carboxamide
CID 2210416
N-(3-bromo-4-methylphenyl)-4-(3-fluorophenyl)piperazine-1-carboxamide
CID 113113496
N-(3,4-dimethylphenyl)-4-(2-morpholin-4-ylphenyl)piperazine-1-carboxamide
CID 113111700
N-[3-(1,3-dithiolan-2-yl)phenyl]-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 71895900
N-(3-chloro-4-methoxyphenyl)-4-(2-ethoxyphenyl)piperazine-1-carboxamide
CID 113113423
4-(4-chloro-2-methoxy-5-methylphenyl)-N-(3,4-dimethylphenyl)piperazine-1-carboxamide
CID 113111710
N-(3-chloro-4-methoxyphenyl)-4-(2-hydroxyphenyl)piperazine-1-carboxamide
CID 55696657

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methylphenyl)-4-(2-methoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of N-(3-bromo-4-methylphenyl)-4-(2-methoxyphenyl)piperazine-1-carboxamide (CID 78874638) is N-(3-bromo-4-methylphenyl)-4-(2-methoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(3-bromo-4-methylphenyl)-4-(2-methoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-(3-bromo-4-methylphenyl)-4-(2-methoxyphenyl)piperazine-1-carboxamide is COc1ccccc1N1CCN(C(=O)Nc2ccc(C)c(Br)c2)CC1.
What is the InChIKey of N-(3-bromo-4-methylphenyl)-4-(2-methoxyphenyl)piperazine-1-carboxamide?
The InChIKey is LEPORWHVLTYUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrN3O2/c1-14-7-8-15(13-16(14)20)21-19(24)23-11-9-22(10-12-23)17-5-3-4-6-18(17)25-2/h3-8,13H,9-12H2,1-2H3,(H,21,24).
What are the key properties of N-(3-bromo-4-methylphenyl)-4-(2-methoxyphenyl)piperazine-1-carboxamide?
N-(3-bromo-4-methylphenyl)-4-(2-methoxyphenyl)piperazine-1-carboxamide has a molecular weight of 404.31 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methylphenyl)-4-(2-methoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 78874638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).