4-(2-bromophenyl)-N-(2-methylpropyl)piperazine-1-carboxamide

C15H22BrN3O — CID 113104118

IUPAC4-(2-bromophenyl)-N-(2-methylpropyl)piperazine-1-carboxamide
SMILESCC(C)CNC(=O)N1CCN(c2ccccc2Br)CC1
InChIInChI=1S/C15H22BrN3O/c1-12(2)11-17-15(20)19-9-7-18(8-10-19)14-6-4-3-5-13(14)16/h3-6,12H,7-11H2,1-2H3,(H,17,20)
InChIKeyOEFYUQRYFYPBRL-UHFFFAOYSA-N
MW340.27 g/mol
LogP2.94
Rot. Bonds3

About 4-(2-bromophenyl)-N-(2-methylpropyl)piperazine-1-carboxamide

4-(2-bromophenyl)-N-(2-methylpropyl)piperazine-1-carboxamide (PubChem CID 113104118) has the molecular formula C15H22BrN3O and a molecular weight of 340.27 g/mol. Its IUPAC name is 4-(2-bromophenyl)-N-(2-methylpropyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-bromophenyl)-N-(2-methylpropyl)piperazine-1-carboxamide
PubChem CID113104118
Molecular FormulaC15H22BrN3O
Molecular Weight340.27 g/mol
Exact Mass339.09
IUPAC Name4-(2-bromophenyl)-N-(2-methylpropyl)piperazine-1-carboxamide
SMILESCC(C)CNC(=O)N1CCN(c2ccccc2Br)CC1
InChIInChI=1S/C15H22BrN3O/c1-12(2)11-17-15(20)19-9-7-18(8-10-19)14-6-4-3-5-13(14)16/h3-6,12H,7-11H2,1-2H3,(H,17,20)
InChIKeyOEFYUQRYFYPBRL-UHFFFAOYSA-N
XLogP2.94
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.27
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-bromophenyl)-N-(2-methoxyethyl)piperazine-1-carboxamide
CID 113105123
N-(2-methylpropyl)-4-quinolin-8-ylpiperazine-1-carboxamide
CID 113104125
4-(2,5-dimethylphenyl)-N-(2-methylpropyl)piperazine-1-carboxamide
CID 113104070
4-(2-bromophenyl)-N-phenylpiperazine-1-carboxamide
CID 113079371
4-(2-bromophenyl)-N-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 113108620
4-benzhydryl-N-(2-methylpropyl)piperazine-1-carboxamide
CID 108867265
4-(4-ethylphenyl)-N-(2-methylpropyl)piperazine-1-carboxamide
CID 113104075
3-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)-3-oxopropanamide
CID 108941605
N-(2-methylpropyl)-4-(2,4,6-trimethylphenyl)piperazine-1-carboxamide
CID 113104079
4-[4-(diethylamino)-2-methylphenyl]-N-(2-methylpropyl)piperazine-1-carboxamide
CID 113104139
[4-(2-bromophenyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 113079338
1-(2-bromophenyl)-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 46582372

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromophenyl)-N-(2-methylpropyl)piperazine-1-carboxamide?
The IUPAC name of 4-(2-bromophenyl)-N-(2-methylpropyl)piperazine-1-carboxamide (CID 113104118) is 4-(2-bromophenyl)-N-(2-methylpropyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-bromophenyl)-N-(2-methylpropyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(2-bromophenyl)-N-(2-methylpropyl)piperazine-1-carboxamide is CC(C)CNC(=O)N1CCN(c2ccccc2Br)CC1.
What is the InChIKey of 4-(2-bromophenyl)-N-(2-methylpropyl)piperazine-1-carboxamide?
The InChIKey is OEFYUQRYFYPBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrN3O/c1-12(2)11-17-15(20)19-9-7-18(8-10-19)14-6-4-3-5-13(14)16/h3-6,12H,7-11H2,1-2H3,(H,17,20).
What are the key properties of 4-(2-bromophenyl)-N-(2-methylpropyl)piperazine-1-carboxamide?
4-(2-bromophenyl)-N-(2-methylpropyl)piperazine-1-carboxamide has a molecular weight of 340.27 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromophenyl)-N-(2-methylpropyl)piperazine-1-carboxamide is sourced from PubChem (CID 113104118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).