3-bromo-N-[3-(4-ethylpiperazin-1-yl)propyl]-4-methoxybenzamide

C17H26BrN3O2 — CID 47029235

IUPAC3-bromo-N-[3-(4-ethylpiperazin-1-yl)propyl]-4-methoxybenzamide
SMILESCCN1CCN(CCCNC(=O)c2ccc(OC)c(Br)c2)CC1
InChIInChI=1S/C17H26BrN3O2/c1-3-20-9-11-21(12-10-20)8-4-7-19-17(22)14-5-6-16(23-2)15(18)13-14/h5-6,13H,3-4,7-12H2,1-2H3,(H,19,22)
InChIKeyGVYJITFRXURELZ-UHFFFAOYSA-N
MW384.32 g/mol
LogP2.22
Rot. Bonds7

About 3-bromo-N-[3-(4-ethylpiperazin-1-yl)propyl]-4-methoxybenzamide

3-bromo-N-[3-(4-ethylpiperazin-1-yl)propyl]-4-methoxybenzamide (PubChem CID 47029235) has the molecular formula C17H26BrN3O2 and a molecular weight of 384.32 g/mol. Its IUPAC name is 3-bromo-N-[3-(4-ethylpiperazin-1-yl)propyl]-4-methoxybenzamide.

Molecular Properties

Compound Name3-bromo-N-[3-(4-ethylpiperazin-1-yl)propyl]-4-methoxybenzamide
PubChem CID47029235
Molecular FormulaC17H26BrN3O2
Molecular Weight384.32 g/mol
Exact Mass383.12
IUPAC Name3-bromo-N-[3-(4-ethylpiperazin-1-yl)propyl]-4-methoxybenzamide
SMILESCCN1CCN(CCCNC(=O)c2ccc(OC)c(Br)c2)CC1
InChIInChI=1S/C17H26BrN3O2/c1-3-20-9-11-21(12-10-20)8-4-7-19-17(22)14-5-6-16(23-2)15(18)13-14/h5-6,13H,3-4,7-12H2,1-2H3,(H,19,22)
InChIKeyGVYJITFRXURELZ-UHFFFAOYSA-N
XLogP2.22
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.32
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(4-ethylpiperazin-1-yl)propyl]-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 55660270
3-bromo-4-methoxy-N-pentylbenzamide
CID 60660286
3-bromo-N-[2-[(3-bromo-4-methoxybenzoyl)amino]ethyl]-4-methoxybenzamide
CID 5120217
3-bromo-N-(3-bromopropyl)-4-methoxybenzamide
CID 61033584
3,4-dichloro-N-[3-(4-ethylpiperazin-1-yl)propyl]benzamide
CID 110444148
3-bromo-N-ethyl-4-methoxybenzamide
CID 51200283
3,4-dimethoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 42224538
3-bromo-N-[2-(cyclopropylamino)ethyl]-4-methoxybenzamide
CID 62662939
4-ethoxy-3-methoxy-N-(3-piperazin-1-ylpropyl)benzamide;hydrochloride
CID 119392200
3-chloro-4-ethoxy-N-[3-(4-ethylpiperazin-1-yl)propyl]-5-methoxybenzamide
CID 55662367
N-[4-(4-ethylpiperazin-1-yl)butyl]-4-(methoxymethyl)benzamide
CID 56812631
3-(diethylsulfamoyl)-4-methoxy-N-[4-(4-methylpiperazin-1-yl)butyl]benzamide
CID 55656851

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[3-(4-ethylpiperazin-1-yl)propyl]-4-methoxybenzamide?
The IUPAC name of 3-bromo-N-[3-(4-ethylpiperazin-1-yl)propyl]-4-methoxybenzamide (CID 47029235) is 3-bromo-N-[3-(4-ethylpiperazin-1-yl)propyl]-4-methoxybenzamide.
What is the SMILES notation for 3-bromo-N-[3-(4-ethylpiperazin-1-yl)propyl]-4-methoxybenzamide?
The canonical SMILES for 3-bromo-N-[3-(4-ethylpiperazin-1-yl)propyl]-4-methoxybenzamide is CCN1CCN(CCCNC(=O)c2ccc(OC)c(Br)c2)CC1.
What is the InChIKey of 3-bromo-N-[3-(4-ethylpiperazin-1-yl)propyl]-4-methoxybenzamide?
The InChIKey is GVYJITFRXURELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrN3O2/c1-3-20-9-11-21(12-10-20)8-4-7-19-17(22)14-5-6-16(23-2)15(18)13-14/h5-6,13H,3-4,7-12H2,1-2H3,(H,19,22).
What are the key properties of 3-bromo-N-[3-(4-ethylpiperazin-1-yl)propyl]-4-methoxybenzamide?
3-bromo-N-[3-(4-ethylpiperazin-1-yl)propyl]-4-methoxybenzamide has a molecular weight of 384.32 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[3-(4-ethylpiperazin-1-yl)propyl]-4-methoxybenzamide is sourced from PubChem (CID 47029235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).