3-fluoro-N-(2-methylpropyl)-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide

C18H26FN3O2 — CID 50779795

IUPAC3-fluoro-N-(2-methylpropyl)-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
SMILESCC(C)CN(CCC(=O)N1CCNCC1)C(=O)c1cccc(F)c1
InChIInChI=1S/C18H26FN3O2/c1-14(2)13-22(18(24)15-4-3-5-16(19)12-15)9-6-17(23)21-10-7-20-8-11-21/h3-5,12,14,20H,6-11,13H2,1-2H3
InChIKeyFCKOTQDGZVAQLP-UHFFFAOYSA-N
MW335.42 g/mol
LogP1.75
Rot. Bonds6

About 3-fluoro-N-(2-methylpropyl)-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide

3-fluoro-N-(2-methylpropyl)-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide (PubChem CID 50779795) has the molecular formula C18H26FN3O2 and a molecular weight of 335.42 g/mol. Its IUPAC name is 3-fluoro-N-(2-methylpropyl)-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide.

Molecular Properties

Compound Name3-fluoro-N-(2-methylpropyl)-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
PubChem CID50779795
Molecular FormulaC18H26FN3O2
Molecular Weight335.42 g/mol
Exact Mass335.20
IUPAC Name3-fluoro-N-(2-methylpropyl)-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
SMILESCC(C)CN(CCC(=O)N1CCNCC1)C(=O)c1cccc(F)c1
InChIInChI=1S/C18H26FN3O2/c1-14(2)13-22(18(24)15-4-3-5-16(19)12-15)9-6-17(23)21-10-7-20-8-11-21/h3-5,12,14,20H,6-11,13H2,1-2H3
InChIKeyFCKOTQDGZVAQLP-UHFFFAOYSA-N
XLogP1.75
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(2-methylpropyl)-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide?
The IUPAC name of 3-fluoro-N-(2-methylpropyl)-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide (CID 50779795) is 3-fluoro-N-(2-methylpropyl)-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide.
What is the SMILES notation for 3-fluoro-N-(2-methylpropyl)-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide?
The canonical SMILES for 3-fluoro-N-(2-methylpropyl)-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide is CC(C)CN(CCC(=O)N1CCNCC1)C(=O)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-(2-methylpropyl)-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide?
The InChIKey is FCKOTQDGZVAQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN3O2/c1-14(2)13-22(18(24)15-4-3-5-16(19)12-15)9-6-17(23)21-10-7-20-8-11-21/h3-5,12,14,20H,6-11,13H2,1-2H3.
What are the key properties of 3-fluoro-N-(2-methylpropyl)-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide?
3-fluoro-N-(2-methylpropyl)-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide has a molecular weight of 335.42 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(2-methylpropyl)-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide is sourced from PubChem (CID 50779795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).