3-bromo-4-(3-piperazin-1-ylpropylamino)benzamide

C14H21BrN4O — CID 82810071

IUPAC3-bromo-4-(3-piperazin-1-ylpropylamino)benzamide
SMILESNC(=O)c1ccc(NCCCN2CCNCC2)c(Br)c1
InChIInChI=1S/C14H21BrN4O/c15-12-10-11(14(16)20)2-3-13(12)18-4-1-7-19-8-5-17-6-9-19/h2-3,10,17-18H,1,4-9H2,(H2,16,20)
InChIKeySAQLNXNWVLBWAN-UHFFFAOYSA-N
MW341.25 g/mol
LogP1.26
Rot. Bonds6

About 3-bromo-4-(3-piperazin-1-ylpropylamino)benzamide

3-bromo-4-(3-piperazin-1-ylpropylamino)benzamide (PubChem CID 82810071) has the molecular formula C14H21BrN4O and a molecular weight of 341.25 g/mol. Its IUPAC name is 3-bromo-4-(3-piperazin-1-ylpropylamino)benzamide.

Molecular Properties

Compound Name3-bromo-4-(3-piperazin-1-ylpropylamino)benzamide
PubChem CID82810071
Molecular FormulaC14H21BrN4O
Molecular Weight341.25 g/mol
Exact Mass340.09
IUPAC Name3-bromo-4-(3-piperazin-1-ylpropylamino)benzamide
SMILESNC(=O)c1ccc(NCCCN2CCNCC2)c(Br)c1
InChIInChI=1S/C14H21BrN4O/c15-12-10-11(14(16)20)2-3-13(12)18-4-1-7-19-8-5-17-6-9-19/h2-3,10,17-18H,1,4-9H2,(H2,16,20)
InChIKeySAQLNXNWVLBWAN-UHFFFAOYSA-N
XLogP1.26
TPSA70.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-4-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]benzamide
CID 107489144
3-bromo-4-[2-[(2R)-pyrrolidin-2-yl]ethylamino]benzamide
CID 104973102
4-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethoxy]benzamide
CID 119392706
3-bromo-4-methyl-N-(2-piperazin-1-ylethyl)benzamide
CID 81471524
4-(2-piperazin-1-ylethyl)benzamide
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2-bromo-4-methyl-N-(3-pyrrolidin-1-ylpropyl)aniline
CID 54960857
2-[2-(2-bromo-4-carbamoylanilino)ethoxy]acetic acid
CID 82797047
5-bromo-N-(3-piperazin-1-ylpropyl)-2-(trifluoromethyl)aniline
CID 107286817
4-(3-piperazin-1-ylpropylamino)pyridine-3-carboxylic acid
CID 81232397
3-bromo-4-(2-morpholin-4-ylethylamino)benzenecarbothioamide
CID 82803789
3-bromo-4-chloro-N-(2-piperazin-1-ylethyl)benzamide
CID 107990091
1-(3-piperazin-1-ylpropyl)pyrrole-3-carboxamide
CID 175700216

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(3-piperazin-1-ylpropylamino)benzamide?
The IUPAC name of 3-bromo-4-(3-piperazin-1-ylpropylamino)benzamide (CID 82810071) is 3-bromo-4-(3-piperazin-1-ylpropylamino)benzamide.
What is the SMILES notation for 3-bromo-4-(3-piperazin-1-ylpropylamino)benzamide?
The canonical SMILES for 3-bromo-4-(3-piperazin-1-ylpropylamino)benzamide is NC(=O)c1ccc(NCCCN2CCNCC2)c(Br)c1.
What is the InChIKey of 3-bromo-4-(3-piperazin-1-ylpropylamino)benzamide?
The InChIKey is SAQLNXNWVLBWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN4O/c15-12-10-11(14(16)20)2-3-13(12)18-4-1-7-19-8-5-17-6-9-19/h2-3,10,17-18H,1,4-9H2,(H2,16,20).
What are the key properties of 3-bromo-4-(3-piperazin-1-ylpropylamino)benzamide?
3-bromo-4-(3-piperazin-1-ylpropylamino)benzamide has a molecular weight of 341.25 g/mol, XLogP of 1.26, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-(3-piperazin-1-ylpropylamino)benzamide is sourced from PubChem (CID 82810071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).