2-(3-oxo-3-piperazin-1-ylpropoxy)benzamide

C14H19N3O3 — CID 62543936

IUPAC2-(3-oxo-3-piperazin-1-ylpropoxy)benzamide
SMILESNC(=O)c1ccccc1OCCC(=O)N1CCNCC1
InChIInChI=1S/C14H19N3O3/c15-14(19)11-3-1-2-4-12(11)20-10-5-13(18)17-8-6-16-7-9-17/h1-4,16H,5-10H2,(H2,15,19)
InChIKeyQZOLQYHRHMXLKA-UHFFFAOYSA-N
MW277.32 g/mol
LogP-0.01
Rot. Bonds5

About 2-(3-oxo-3-piperazin-1-ylpropoxy)benzamide

2-(3-oxo-3-piperazin-1-ylpropoxy)benzamide (PubChem CID 62543936) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-(3-oxo-3-piperazin-1-ylpropoxy)benzamide.

Molecular Properties

Compound Name2-(3-oxo-3-piperazin-1-ylpropoxy)benzamide
PubChem CID62543936
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name2-(3-oxo-3-piperazin-1-ylpropoxy)benzamide
SMILESNC(=O)c1ccccc1OCCC(=O)N1CCNCC1
InChIInChI=1S/C14H19N3O3/c15-14(19)11-3-1-2-4-12(11)20-10-5-13(18)17-8-6-16-7-9-17/h1-4,16H,5-10H2,(H2,15,19)
InChIKeyQZOLQYHRHMXLKA-UHFFFAOYSA-N
XLogP-0.01
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[6-(4-methylpiperazin-1-yl)-6-oxohexoxy]benzamide
CID 142630847
2-(3-amino-3-oxopropoxy)benzamide
CID 60713061
3-(2,6-dimethoxyphenoxy)-1-piperazin-1-ylpropan-1-one
CID 39288381
2-(2-aminophenoxy)-1-piperazin-1-ylethanone
CID 82510509
4-(2-methylphenoxy)-1-piperazin-1-ylbutan-1-one;hydrochloride
CID 119403750
3-(4-fluorophenoxy)-1-piperazin-1-ylpropan-1-one
CID 39256403
3-amino-1-[4-[3-(2-methoxyphenoxy)propanoyl]piperazin-1-yl]propan-1-one
CID 4740257
1-(1,4-diazepan-1-yl)-3-(2,3-dimethylphenoxy)propan-1-one;hydrochloride
CID 119418568
1-(4-aminopiperidin-1-yl)-3-(2-bromophenoxy)propan-1-one
CID 119372982
3-(2-pentoxyphenyl)-1-piperazin-1-ylpropan-1-one
CID 83954594
3-(3-hydroxyphenoxy)-1-piperazin-1-ylpropan-1-one
CID 2759326
3-(4-chloro-2-methylphenoxy)-1-piperazin-1-ylpropan-1-one
CID 55085396

Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-3-piperazin-1-ylpropoxy)benzamide?
The IUPAC name of 2-(3-oxo-3-piperazin-1-ylpropoxy)benzamide (CID 62543936) is 2-(3-oxo-3-piperazin-1-ylpropoxy)benzamide.
What is the SMILES notation for 2-(3-oxo-3-piperazin-1-ylpropoxy)benzamide?
The canonical SMILES for 2-(3-oxo-3-piperazin-1-ylpropoxy)benzamide is NC(=O)c1ccccc1OCCC(=O)N1CCNCC1.
What is the InChIKey of 2-(3-oxo-3-piperazin-1-ylpropoxy)benzamide?
The InChIKey is QZOLQYHRHMXLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c15-14(19)11-3-1-2-4-12(11)20-10-5-13(18)17-8-6-16-7-9-17/h1-4,16H,5-10H2,(H2,15,19).
What are the key properties of 2-(3-oxo-3-piperazin-1-ylpropoxy)benzamide?
2-(3-oxo-3-piperazin-1-ylpropoxy)benzamide has a molecular weight of 277.32 g/mol, XLogP of -0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-3-piperazin-1-ylpropoxy)benzamide is sourced from PubChem (CID 62543936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).