4-acetyl-N-[2-(2-bromophenoxy)ethyl]piperazine-1-carboxamide

C15H20BrN3O3 — CID 112971029

IUPAC4-acetyl-N-[2-(2-bromophenoxy)ethyl]piperazine-1-carboxamide
SMILESCC(=O)N1CCN(C(=O)NCCOc2ccccc2Br)CC1
InChIInChI=1S/C15H20BrN3O3/c1-12(20)18-7-9-19(10-8-18)15(21)17-6-11-22-14-5-3-2-4-13(14)16/h2-5H,6-11H2,1H3,(H,17,21)
InChIKeyKUBUBDKQYCRGPC-UHFFFAOYSA-N
MW370.25 g/mol
LogP1.70
Rot. Bonds4

About 4-acetyl-N-[2-(2-bromophenoxy)ethyl]piperazine-1-carboxamide

4-acetyl-N-[2-(2-bromophenoxy)ethyl]piperazine-1-carboxamide (PubChem CID 112971029) has the molecular formula C15H20BrN3O3 and a molecular weight of 370.25 g/mol. Its IUPAC name is 4-acetyl-N-[2-(2-bromophenoxy)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-[2-(2-bromophenoxy)ethyl]piperazine-1-carboxamide
PubChem CID112971029
Molecular FormulaC15H20BrN3O3
Molecular Weight370.25 g/mol
Exact Mass369.07
IUPAC Name4-acetyl-N-[2-(2-bromophenoxy)ethyl]piperazine-1-carboxamide
SMILESCC(=O)N1CCN(C(=O)NCCOc2ccccc2Br)CC1
InChIInChI=1S/C15H20BrN3O3/c1-12(20)18-7-9-19(10-8-18)15(21)17-6-11-22-14-5-3-2-4-13(14)16/h2-5H,6-11H2,1H3,(H,17,21)
InChIKeyKUBUBDKQYCRGPC-UHFFFAOYSA-N
XLogP1.70
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.25
LogP ≤ 51.70
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

N-[2-(2-bromophenoxy)ethyl]-4-methylpiperazine-1-carboxamide
CID 112971026
4-acetyl-N-[2-(2-ethylphenoxy)ethyl]piperazine-1-carboxamide
CID 112971649
N-[2-(2-bromophenoxy)ethyl]-2-methylpropanamide
CID 113099538
N-[2-(2-chlorophenoxy)ethyl]pyrrolidine-1-carboxamide
CID 112970539
4-acetyl-N-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]piperazine-1-carboxamide
CID 112974994
N-[2-(2-ethylphenoxy)ethyl]piperidine-1-carboxamide
CID 112971635
4-(2-bromophenyl)-N-(2-methoxyethyl)piperazine-1-carboxamide
CID 113105123
4-acetyl-N-[2-(3,5-dimethylphenoxy)ethyl]piperazine-1-carboxamide
CID 112973954
methyl 4-[2-(2-bromophenyl)ethylcarbamoyl]piperazine-1-carboxylate
CID 49132987
N-[2-(2-bromophenoxy)ethyl]-3-phenoxypropanamide
CID 113099576
N-(2-acetamidoethyl)-4-(2-bromophenoxy)butanamide
CID 47038930
N-[2-(2-methylphenoxy)ethyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 112969794

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[2-(2-bromophenoxy)ethyl]piperazine-1-carboxamide?
The IUPAC name of 4-acetyl-N-[2-(2-bromophenoxy)ethyl]piperazine-1-carboxamide (CID 112971029) is 4-acetyl-N-[2-(2-bromophenoxy)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-acetyl-N-[2-(2-bromophenoxy)ethyl]piperazine-1-carboxamide?
The canonical SMILES for 4-acetyl-N-[2-(2-bromophenoxy)ethyl]piperazine-1-carboxamide is CC(=O)N1CCN(C(=O)NCCOc2ccccc2Br)CC1.
What is the InChIKey of 4-acetyl-N-[2-(2-bromophenoxy)ethyl]piperazine-1-carboxamide?
The InChIKey is KUBUBDKQYCRGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O3/c1-12(20)18-7-9-19(10-8-18)15(21)17-6-11-22-14-5-3-2-4-13(14)16/h2-5H,6-11H2,1H3,(H,17,21).
What are the key properties of 4-acetyl-N-[2-(2-bromophenoxy)ethyl]piperazine-1-carboxamide?
4-acetyl-N-[2-(2-bromophenoxy)ethyl]piperazine-1-carboxamide has a molecular weight of 370.25 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[2-(2-bromophenoxy)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 112971029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).