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

C14H20BrN3O2 — CID 112971026

IUPACN-[2-(2-bromophenoxy)ethyl]-4-methylpiperazine-1-carboxamide
SMILESCN1CCN(C(=O)NCCOc2ccccc2Br)CC1
InChIInChI=1S/C14H20BrN3O2/c1-17-7-9-18(10-8-17)14(19)16-6-11-20-13-5-3-2-4-12(13)15/h2-5H,6-11H2,1H3,(H,16,19)
InChIKeyWMFMGDPVCZPFPK-UHFFFAOYSA-N
MW342.24 g/mol
LogP1.78
Rot. Bonds4

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

N-[2-(2-bromophenoxy)ethyl]-4-methylpiperazine-1-carboxamide (PubChem CID 112971026) has the molecular formula C14H20BrN3O2 and a molecular weight of 342.24 g/mol. Its IUPAC name is N-[2-(2-bromophenoxy)ethyl]-4-methylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2-bromophenoxy)ethyl]-4-methylpiperazine-1-carboxamide
PubChem CID112971026
Molecular FormulaC14H20BrN3O2
Molecular Weight342.24 g/mol
Exact Mass341.07
IUPAC NameN-[2-(2-bromophenoxy)ethyl]-4-methylpiperazine-1-carboxamide
SMILESCN1CCN(C(=O)NCCOc2ccccc2Br)CC1
InChIInChI=1S/C14H20BrN3O2/c1-17-7-9-18(10-8-17)14(19)16-6-11-20-13-5-3-2-4-12(13)15/h2-5H,6-11H2,1H3,(H,16,19)
InChIKeyWMFMGDPVCZPFPK-UHFFFAOYSA-N
XLogP1.78
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 ≤ 51.78
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-acetyl-N-[2-(2-bromophenoxy)ethyl]piperazine-1-carboxamide
CID 112971029
4-acetyl-N-[2-(2-ethylphenoxy)ethyl]piperazine-1-carboxamide
CID 112971649
N-[2-(2-chlorophenoxy)ethyl]pyrrolidine-1-carboxamide
CID 112970539
N-[2-(2,4-dimethylphenoxy)ethyl]-4-methylpiperazine-1-carboxamide
CID 112973614
N-[2-(2-bromophenoxy)ethyl]-2-methylpropanamide
CID 113099538
N-[2-(2-ethylphenoxy)ethyl]piperidine-1-carboxamide
CID 112971635
4-methyl-N-(2-phenylmethoxyethyl)piperazine-1-carboxamide
CID 122567532
4-(2-bromophenyl)-N-(2-methoxyethyl)piperazine-1-carboxamide
CID 113105123
N-[2-(3-ethoxyphenoxy)ethyl]-4-methylpiperazine-1-carboxamide
CID 112972956
4-acetyl-N-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]piperazine-1-carboxamide
CID 112974994
N-[2-(2-bromophenoxy)ethyl]-3-phenoxypropanamide
CID 113099576
N-[2-(2-methylphenoxy)ethyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 112969794

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromophenoxy)ethyl]-4-methylpiperazine-1-carboxamide?
The IUPAC name of N-[2-(2-bromophenoxy)ethyl]-4-methylpiperazine-1-carboxamide (CID 112971026) is N-[2-(2-bromophenoxy)ethyl]-4-methylpiperazine-1-carboxamide.
What is the SMILES notation for N-[2-(2-bromophenoxy)ethyl]-4-methylpiperazine-1-carboxamide?
The canonical SMILES for N-[2-(2-bromophenoxy)ethyl]-4-methylpiperazine-1-carboxamide is CN1CCN(C(=O)NCCOc2ccccc2Br)CC1.
What is the InChIKey of N-[2-(2-bromophenoxy)ethyl]-4-methylpiperazine-1-carboxamide?
The InChIKey is WMFMGDPVCZPFPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O2/c1-17-7-9-18(10-8-17)14(19)16-6-11-20-13-5-3-2-4-12(13)15/h2-5H,6-11H2,1H3,(H,16,19).
What are the key properties of N-[2-(2-bromophenoxy)ethyl]-4-methylpiperazine-1-carboxamide?
N-[2-(2-bromophenoxy)ethyl]-4-methylpiperazine-1-carboxamide has a molecular weight of 342.24 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromophenoxy)ethyl]-4-methylpiperazine-1-carboxamide is sourced from PubChem (CID 112971026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).