3-methoxy-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]benzamide

C21H25N3O3 — CID 17226023

IUPAC3-methoxy-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]benzamide
SMILESCOc1cccc(C(=O)NCCC(=O)N2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C21H25N3O3/c1-27-19-9-5-6-17(16-19)21(26)22-11-10-20(25)24-14-12-23(13-15-24)18-7-3-2-4-8-18/h2-9,16H,10-15H2,1H3,(H,22,26)
InChIKeyXLFIVJICHABLTG-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.16
Rot. Bonds6

About 3-methoxy-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]benzamide

3-methoxy-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]benzamide (PubChem CID 17226023) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 3-methoxy-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]benzamide
PubChem CID17226023
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name3-methoxy-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]benzamide
SMILESCOc1cccc(C(=O)NCCC(=O)N2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C21H25N3O3/c1-27-19-9-5-6-17(16-19)21(26)22-11-10-20(25)24-14-12-23(13-15-24)18-7-3-2-4-8-18/h2-9,16H,10-15H2,1H3,(H,22,26)
InChIKeyXLFIVJICHABLTG-UHFFFAOYSA-N
XLogP2.16
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-N-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 9158911
N-[2-[[ethylamino-(4-phenylpiperazin-1-yl)methylidene]amino]ethyl]-3-methoxybenzamide
CID 110961095
3-methoxy-N-[2-[[C-[4-(3-methoxyphenyl)piperazin-1-yl]-N-methylcarbonimidoyl]amino]ethyl]benzamide
CID 111290999
3-methoxy-N-[3-(4-phenylpiperazin-1-yl)sulfonylpropyl]benzamide
CID 42175212
4-bromo-N-[3-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-oxopropyl]benzamide
CID 38046364
N-[6-[4-(3-methoxyphenyl)piperazin-1-yl]-6-oxohexyl]acetamide
CID 112789670
N-benzyl-3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethoxy]benzamide
CID 25354438
3-methoxy-N-[3-oxo-3-[4-(1H-1,2,4-triazol-5-ylmethyl)piperazin-1-yl]propyl]benzamide
CID 90651512
3-chloro-N-[3-[4-(4-chlorophenyl)piperazin-1-yl]-3-oxopropyl]benzamide
CID 24737765
N-[2-[[ethylamino-[4-(3-methoxyphenyl)piperazin-1-yl]methylidene]amino]ethyl]-3-methoxybenzamide;hydroiodide
CID 111290836
2-(3-methoxyphenoxy)-1-(4-phenylpiperazin-1-yl)ethanone
CID 56698277
3-methoxy-N-[2-[4-(2-methylphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 9152898

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]benzamide?
The IUPAC name of 3-methoxy-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]benzamide (CID 17226023) is 3-methoxy-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]benzamide?
The canonical SMILES for 3-methoxy-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]benzamide is COc1cccc(C(=O)NCCC(=O)N2CCN(c3ccccc3)CC2)c1.
What is the InChIKey of 3-methoxy-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]benzamide?
The InChIKey is XLFIVJICHABLTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-27-19-9-5-6-17(16-19)21(26)22-11-10-20(25)24-14-12-23(13-15-24)18-7-3-2-4-8-18/h2-9,16H,10-15H2,1H3,(H,22,26).
What are the key properties of 3-methoxy-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]benzamide?
3-methoxy-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]benzamide has a molecular weight of 367.45 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]benzamide is sourced from PubChem (CID 17226023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).