4-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethoxy]benzamide

C16H24N4O3 — CID 119392706

IUPAC4-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethoxy]benzamide
SMILESNC(=O)c1ccc(OCC(=O)NCCCN2CCNCC2)cc1
InChIInChI=1S/C16H24N4O3/c17-16(22)13-2-4-14(5-3-13)23-12-15(21)19-6-1-9-20-10-7-18-8-11-20/h2-5,18H,1,6-12H2,(H2,17,22)(H,19,21)
InChIKeyXRGSSXMXMXDDOM-UHFFFAOYSA-N
MW320.39 g/mol
LogP-0.42
Rot. Bonds8

About 4-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethoxy]benzamide

4-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethoxy]benzamide (PubChem CID 119392706) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is 4-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethoxy]benzamide.

Molecular Properties

Compound Name4-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethoxy]benzamide
PubChem CID119392706
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name4-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethoxy]benzamide
SMILESNC(=O)c1ccc(OCC(=O)NCCCN2CCNCC2)cc1
InChIInChI=1S/C16H24N4O3/c17-16(22)13-2-4-14(5-3-13)23-12-15(21)19-6-1-9-20-10-7-18-8-11-20/h2-5,18H,1,6-12H2,(H2,17,22)(H,19,21)
InChIKeyXRGSSXMXMXDDOM-UHFFFAOYSA-N
XLogP-0.42
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(2-amino-2-oxoethoxy)-N-(3-piperazin-1-ylpropyl)benzamide
CID 119391361
4-(2-methoxyethoxy)-N-(3-piperazin-1-ylpropyl)benzamide
CID 119392575
N-(3-piperazin-1-ylpropyl)-2-(3-propan-2-ylphenoxy)acetamide
CID 119394347
3-(4-fluorophenoxy)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 119391711
2-[(2-phenoxyacetyl)amino]-N-(2-piperazin-1-ylethyl)acetamide
CID 119447721
N-(3-piperazin-1-ylpropyl)-4-prop-2-enoxybenzamide;hydrochloride
CID 119393853
2-(2-fluorophenoxy)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119392768
2-(2-tert-butylphenoxy)-N-(3-piperazin-1-ylpropyl)acetamide
CID 119392853
2-(2,4-difluorophenoxy)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119391828
4-(2-piperazin-1-ylethyl)benzamide
CID 84696960
2-(4-bromo-2-chlorophenoxy)-N-(3-piperazin-1-ylpropyl)acetamide
CID 119394421
N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(4-methylphenoxy)acetamide
CID 111429566

Frequently Asked Questions

What is the IUPAC name of 4-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethoxy]benzamide?
The IUPAC name of 4-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethoxy]benzamide (CID 119392706) is 4-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethoxy]benzamide.
What is the SMILES notation for 4-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethoxy]benzamide?
The canonical SMILES for 4-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethoxy]benzamide is NC(=O)c1ccc(OCC(=O)NCCCN2CCNCC2)cc1.
What is the InChIKey of 4-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethoxy]benzamide?
The InChIKey is XRGSSXMXMXDDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3/c17-16(22)13-2-4-14(5-3-13)23-12-15(21)19-6-1-9-20-10-7-18-8-11-20/h2-5,18H,1,6-12H2,(H2,17,22)(H,19,21).
What are the key properties of 4-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethoxy]benzamide?
4-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethoxy]benzamide has a molecular weight of 320.39 g/mol, XLogP of -0.42, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-oxo-2-(3-piperazin-1-ylpropylamino)ethoxy]benzamide is sourced from PubChem (CID 119392706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).