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

C14H20BrN3O2 — CID 113105123

IUPAC4-(2-bromophenyl)-N-(2-methoxyethyl)piperazine-1-carboxamide
SMILESCOCCNC(=O)N1CCN(c2ccccc2Br)CC1
InChIInChI=1S/C14H20BrN3O2/c1-20-11-6-16-14(19)18-9-7-17(8-10-18)13-5-3-2-4-12(13)15/h2-5H,6-11H2,1H3,(H,16,19)
InChIKeyFGDZLKMOGXSXAS-UHFFFAOYSA-N
MW342.24 g/mol
LogP1.93
Rot. Bonds4

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

4-(2-bromophenyl)-N-(2-methoxyethyl)piperazine-1-carboxamide (PubChem CID 113105123) has the molecular formula C14H20BrN3O2 and a molecular weight of 342.24 g/mol. Its IUPAC name is 4-(2-bromophenyl)-N-(2-methoxyethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-bromophenyl)-N-(2-methoxyethyl)piperazine-1-carboxamide
PubChem CID113105123
Molecular FormulaC14H20BrN3O2
Molecular Weight342.24 g/mol
Exact Mass341.07
IUPAC Name4-(2-bromophenyl)-N-(2-methoxyethyl)piperazine-1-carboxamide
SMILESCOCCNC(=O)N1CCN(c2ccccc2Br)CC1
InChIInChI=1S/C14H20BrN3O2/c1-20-11-6-16-14(19)18-9-7-17(8-10-18)13-5-3-2-4-12(13)15/h2-5H,6-11H2,1H3,(H,16,19)
InChIKeyFGDZLKMOGXSXAS-UHFFFAOYSA-N
XLogP1.93
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.24
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2-bromophenyl)-N-(2-methylpropyl)piperazine-1-carboxamide
CID 113104118
4-(4-bromo-2-methylphenyl)-N-(3-methoxypropyl)piperazine-1-carboxamide
CID 113105383
4-(2,3-dimethylphenyl)-N-(3-methoxypropyl)piperazine-1-carboxamide
CID 108988126
1-[(3R)-1-(2-bromophenyl)pyrrolidin-3-yl]-3-(2-methoxyethyl)urea
CID 96523423
N-(3-methoxypropyl)-4-phenylpiperazine-1-carboxamide
CID 47128071
4-(4-chlorophenyl)-N-(2-methoxyethyl)piperazine-1-carboxamide
CID 47442442
4-[2,6-di(propan-2-yl)phenyl]-N-(2-methoxyethyl)piperazine-1-carboxamide
CID 113105129
4-(2-methoxyphenyl)-N-(2-phenoxyethyl)piperazine-1-carboxamide
CID 108887102
N-[2-(2-bromophenoxy)ethyl]-4-methylpiperazine-1-carboxamide
CID 112971026
4-acetyl-N-[2-(2-bromophenoxy)ethyl]piperazine-1-carboxamide
CID 112971029
4-(2-bromophenyl)-N-phenylpiperazine-1-carboxamide
CID 113079371
N-(2-methoxyethyl)-4-(4-sulfamoylphenyl)piperazine-1-carboxamide
CID 86776771

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromophenyl)-N-(2-methoxyethyl)piperazine-1-carboxamide?
The IUPAC name of 4-(2-bromophenyl)-N-(2-methoxyethyl)piperazine-1-carboxamide (CID 113105123) is 4-(2-bromophenyl)-N-(2-methoxyethyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-bromophenyl)-N-(2-methoxyethyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(2-bromophenyl)-N-(2-methoxyethyl)piperazine-1-carboxamide is COCCNC(=O)N1CCN(c2ccccc2Br)CC1.
What is the InChIKey of 4-(2-bromophenyl)-N-(2-methoxyethyl)piperazine-1-carboxamide?
The InChIKey is FGDZLKMOGXSXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O2/c1-20-11-6-16-14(19)18-9-7-17(8-10-18)13-5-3-2-4-12(13)15/h2-5H,6-11H2,1H3,(H,16,19).
What are the key properties of 4-(2-bromophenyl)-N-(2-methoxyethyl)piperazine-1-carboxamide?
4-(2-bromophenyl)-N-(2-methoxyethyl)piperazine-1-carboxamide has a molecular weight of 342.24 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromophenyl)-N-(2-methoxyethyl)piperazine-1-carboxamide is sourced from PubChem (CID 113105123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).