5-(4-bromophenyl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pentanamide

C23H30BrN3O — CID 56517492

IUPAC5-(4-bromophenyl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pentanamide
SMILESCN1CCN(c2ccccc2CNC(=O)CCCCc2ccc(Br)cc2)CC1
InChIInChI=1S/C23H30BrN3O/c1-26-14-16-27(17-15-26)22-8-4-3-7-20(22)18-25-23(28)9-5-2-6-19-10-12-21(24)13-11-19/h3-4,7-8,10-13H,2,5-6,9,14-18H2,1H3,(H,25,28)
InChIKeyJQPAWSLNVGAHFD-UHFFFAOYSA-N
MW444.42 g/mol
LogP4.23
Rot. Bonds8

About 5-(4-bromophenyl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pentanamide

5-(4-bromophenyl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pentanamide (PubChem CID 56517492) has the molecular formula C23H30BrN3O and a molecular weight of 444.42 g/mol. Its IUPAC name is 5-(4-bromophenyl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pentanamide.

Molecular Properties

Compound Name5-(4-bromophenyl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pentanamide
PubChem CID56517492
Molecular FormulaC23H30BrN3O
Molecular Weight444.42 g/mol
Exact Mass443.16
IUPAC Name5-(4-bromophenyl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pentanamide
SMILESCN1CCN(c2ccccc2CNC(=O)CCCCc2ccc(Br)cc2)CC1
InChIInChI=1S/C23H30BrN3O/c1-26-14-16-27(17-15-26)22-8-4-3-7-20(22)18-25-23(28)9-5-2-6-19-10-12-21(24)13-11-19/h3-4,7-8,10-13H,2,5-6,9,14-18H2,1H3,(H,25,28)
InChIKeyJQPAWSLNVGAHFD-UHFFFAOYSA-N
XLogP4.23
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.42
LogP ≤ 54.23
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-(4-methylpiperazin-1-yl)phenyl]methyl]octanamide
CID 56517889
N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-4-oxo-4-(4-propylphenyl)butanamide
CID 56523285
N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 56517039
5-bromo-2-chloro-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide
CID 56518298
4-(2,4-difluorophenoxy)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]butanamide
CID 56517196
4-(4-hydroxyphenyl)sulfanyl-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pentanamide
CID 91042386
N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-2,2-diphenylacetamide
CID 56518010
5-(4-bromophenyl)-N-(2-phenylethyl)pentanamide
CID 55752390
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-4-oxobutanamide
CID 56518355
3-[2-(4-methylpiperazin-1-yl)phenyl]propanoic acid
CID 28807045
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]propanamide
CID 56517601
N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 56517219

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pentanamide?
The IUPAC name of 5-(4-bromophenyl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pentanamide (CID 56517492) is 5-(4-bromophenyl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pentanamide.
What is the SMILES notation for 5-(4-bromophenyl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pentanamide?
The canonical SMILES for 5-(4-bromophenyl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pentanamide is CN1CCN(c2ccccc2CNC(=O)CCCCc2ccc(Br)cc2)CC1.
What is the InChIKey of 5-(4-bromophenyl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pentanamide?
The InChIKey is JQPAWSLNVGAHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30BrN3O/c1-26-14-16-27(17-15-26)22-8-4-3-7-20(22)18-25-23(28)9-5-2-6-19-10-12-21(24)13-11-19/h3-4,7-8,10-13H,2,5-6,9,14-18H2,1H3,(H,25,28).
What are the key properties of 5-(4-bromophenyl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pentanamide?
5-(4-bromophenyl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pentanamide has a molecular weight of 444.42 g/mol, XLogP of 4.23, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]pentanamide is sourced from PubChem (CID 56517492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).