4-bromo-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide

C22H28BrN3O2 — CID 10939222

IUPAC4-bromo-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide
SMILESCOC1=CC=CC=C1N2CCN(CC2)CCCCNC(=O)C3=CC=C(C=C3)Br
InChIInChI=1S/C22H28BrN3O2/c1-28-21-7-3-2-6-20(21)26-16-14-25(15-17-26)13-5-4-12-24-22(27)18-8-10-19(23)11-9-18/h2-3,6-11H,4-5,12-17H2,1H3,(H,24,27)
InChIKeyZGEMRFRKWCDFJH-UHFFFAOYSA-N
MW446.40 g/mol
LogP4.20
Rot. Bonds8

About 4-bromo-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide

4-bromo-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide (PubChem CID 10939222) has the molecular formula C22H28BrN3O2 and a molecular weight of 446.40 g/mol. Its IUPAC name is 4-bromo-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide
PubChem CID10939222
Molecular FormulaC22H28BrN3O2
Molecular Weight446.40 g/mol
Exact Mass445.14
IUPAC Name4-bromo-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide
SMILESCOC1=CC=CC=C1N2CCN(CC2)CCCCNC(=O)C3=CC=C(C=C3)Br
InChIInChI=1S/C22H28BrN3O2/c1-28-21-7-3-2-6-20(21)26-16-14-25(15-17-26)13-5-4-12-24-22(27)18-8-10-19(23)11-9-18/h2-3,6-11H,4-5,12-17H2,1H3,(H,24,27)
InChIKeyZGEMRFRKWCDFJH-UHFFFAOYSA-N
XLogP4.20
TPSA44.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity463

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.40
LogP ≤ 54.20
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

GR-103691
CID 4302960
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]cyclohexanecarboxamide
CID 9819571
2-{3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino}-N,N-dimethylbenzamide
CID 10572854
Azepan-1-yl-{3-[4-(2-methoxy-phenyl)-piperazin-1-ylmethyl]-phenyl}-methanone
CID 10811379
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-4-phenylbenzamide
CID 10939167
4-fluoro-N-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)benzamide
CID 13318472
4-(dimethylamino)-N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)benzamide
CID 53326601
4-Methoxyphenyl 4-(2-methoxyphenyl)piperazinyl ketone
CID 722098
(2-Methoxyphenyl)[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 3335915
3-(4-Iodo-phenyl)-N-{4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-butyl}-acrylamide
CID 9827991
3-methoxy-N-{2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl}benzamide
CID 10406796
N-[4-[4-(2-Methoxyphenyl)-1-piperazinyl]butyl]benzo[b]tellurophene-2-carboxamide
CID 10436653

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide?
The IUPAC name of 4-bromo-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide (CID 10939222) is 4-bromo-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide.
What is the SMILES notation for 4-bromo-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide?
The canonical SMILES for 4-bromo-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide is COC1=CC=CC=C1N2CCN(CC2)CCCCNC(=O)C3=CC=C(C=C3)Br.
What is the InChIKey of 4-bromo-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide?
The InChIKey is ZGEMRFRKWCDFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28BrN3O2/c1-28-21-7-3-2-6-20(21)26-16-14-25(15-17-26)13-5-4-12-24-22(27)18-8-10-19(23)11-9-18/h2-3,6-11H,4-5,12-17H2,1H3,(H,24,27).
What are the key properties of 4-bromo-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide?
4-bromo-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide has a molecular weight of 446.40 g/mol, XLogP of 4.20, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide is sourced from PubChem (CID 10939222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).