4-bromo-N-[3-oxo-3-[2-(4-phenylpiperazin-1-yl)propylamino]propyl]benzamide

C23H29BrN4O2 — CID 55694698

IUPAC4-bromo-N-[3-oxo-3-[2-(4-phenylpiperazin-1-yl)propylamino]propyl]benzamide
SMILESCC(CNC(=O)CCNC(=O)c1ccc(Br)cc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H29BrN4O2/c1-18(27-13-15-28(16-14-27)21-5-3-2-4-6-21)17-26-22(29)11-12-25-23(30)19-7-9-20(24)10-8-19/h2-10,18H,11-17H2,1H3,(H,25,30)(H,26,29)
InChIKeyVLIXVEVIQBYFSZ-UHFFFAOYSA-N
MW473.42 g/mol
LogP2.90
Rot. Bonds8

About 4-bromo-N-[3-oxo-3-[2-(4-phenylpiperazin-1-yl)propylamino]propyl]benzamide

4-bromo-N-[3-oxo-3-[2-(4-phenylpiperazin-1-yl)propylamino]propyl]benzamide (PubChem CID 55694698) has the molecular formula C23H29BrN4O2 and a molecular weight of 473.42 g/mol. Its IUPAC name is 4-bromo-N-[3-oxo-3-[2-(4-phenylpiperazin-1-yl)propylamino]propyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[3-oxo-3-[2-(4-phenylpiperazin-1-yl)propylamino]propyl]benzamide
PubChem CID55694698
Molecular FormulaC23H29BrN4O2
Molecular Weight473.42 g/mol
Exact Mass472.15
IUPAC Name4-bromo-N-[3-oxo-3-[2-(4-phenylpiperazin-1-yl)propylamino]propyl]benzamide
SMILESCC(CNC(=O)CCNC(=O)c1ccc(Br)cc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H29BrN4O2/c1-18(27-13-15-28(16-14-27)21-5-3-2-4-6-21)17-26-22(29)11-12-25-23(30)19-7-9-20(24)10-8-19/h2-10,18H,11-17H2,1H3,(H,25,30)(H,26,29)
InChIKeyVLIXVEVIQBYFSZ-UHFFFAOYSA-N
XLogP2.90
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.42
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[2-(4-phenylpiperazin-1-yl)propyl]pentanamide
CID 120566019
4-bromo-N-[3-oxo-3-(2-phenylpropylamino)propyl]benzamide
CID 24636628
1-(2-hydroxyethyl)-3-[2-(4-phenylpiperazin-1-yl)propyl]urea
CID 110894090
3-(4-ethylphenyl)-N-[2-(4-phenylpiperazin-1-yl)propyl]propanamide
CID 55695053
2-(4-aminophenyl)-N-[2-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 119902072
4-bromo-N-[3-[2-(methylamino)propylamino]-3-oxopropyl]benzamide
CID 120831395
3-(5-chlorothiophen-2-yl)-N-[2-(4-phenylpiperazin-1-yl)propyl]propanamide
CID 60511690
2-[cyclopropyl(methyl)amino]-N-[2-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 60504013
4-bromo-N-[2-(4-phenylpiperazin-1-yl)propyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56564755
N-[3-oxo-3-[3-(4-phenylpiperazin-1-yl)propylamino]propyl]benzamide
CID 43071347
2,4-dimethyl-N-[2-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 55694971
2-bromo-4-fluoro-N-[2-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 55694970

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-oxo-3-[2-(4-phenylpiperazin-1-yl)propylamino]propyl]benzamide?
The IUPAC name of 4-bromo-N-[3-oxo-3-[2-(4-phenylpiperazin-1-yl)propylamino]propyl]benzamide (CID 55694698) is 4-bromo-N-[3-oxo-3-[2-(4-phenylpiperazin-1-yl)propylamino]propyl]benzamide.
What is the SMILES notation for 4-bromo-N-[3-oxo-3-[2-(4-phenylpiperazin-1-yl)propylamino]propyl]benzamide?
The canonical SMILES for 4-bromo-N-[3-oxo-3-[2-(4-phenylpiperazin-1-yl)propylamino]propyl]benzamide is CC(CNC(=O)CCNC(=O)c1ccc(Br)cc1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 4-bromo-N-[3-oxo-3-[2-(4-phenylpiperazin-1-yl)propylamino]propyl]benzamide?
The InChIKey is VLIXVEVIQBYFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29BrN4O2/c1-18(27-13-15-28(16-14-27)21-5-3-2-4-6-21)17-26-22(29)11-12-25-23(30)19-7-9-20(24)10-8-19/h2-10,18H,11-17H2,1H3,(H,25,30)(H,26,29).
What are the key properties of 4-bromo-N-[3-oxo-3-[2-(4-phenylpiperazin-1-yl)propylamino]propyl]benzamide?
4-bromo-N-[3-oxo-3-[2-(4-phenylpiperazin-1-yl)propylamino]propyl]benzamide has a molecular weight of 473.42 g/mol, XLogP of 2.90, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[3-oxo-3-[2-(4-phenylpiperazin-1-yl)propylamino]propyl]benzamide is sourced from PubChem (CID 55694698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).