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

C23H28FN3O2 — CID 50779377

IUPAC3-fluoro-N-(3-oxo-3-piperazin-1-ylpropyl)-N-(2-phenylpropyl)benzamide
SMILESCC(CN(CCC(=O)N1CCNCC1)C(=O)c1cccc(F)c1)c1ccccc1
InChIInChI=1S/C23H28FN3O2/c1-18(19-6-3-2-4-7-19)17-27(23(29)20-8-5-9-21(24)16-20)13-10-22(28)26-14-11-25-12-15-26/h2-9,16,18,25H,10-15,17H2,1H3
InChIKeyWUDUKBNBTOTGNB-UHFFFAOYSA-N
MW397.49 g/mol
LogP2.89
Rot. Bonds7

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

3-fluoro-N-(3-oxo-3-piperazin-1-ylpropyl)-N-(2-phenylpropyl)benzamide (PubChem CID 50779377) has the molecular formula C23H28FN3O2 and a molecular weight of 397.49 g/mol. Its IUPAC name is 3-fluoro-N-(3-oxo-3-piperazin-1-ylpropyl)-N-(2-phenylpropyl)benzamide.

Molecular Properties

Compound Name3-fluoro-N-(3-oxo-3-piperazin-1-ylpropyl)-N-(2-phenylpropyl)benzamide
PubChem CID50779377
Molecular FormulaC23H28FN3O2
Molecular Weight397.49 g/mol
Exact Mass397.22
IUPAC Name3-fluoro-N-(3-oxo-3-piperazin-1-ylpropyl)-N-(2-phenylpropyl)benzamide
SMILESCC(CN(CCC(=O)N1CCNCC1)C(=O)c1cccc(F)c1)c1ccccc1
InChIInChI=1S/C23H28FN3O2/c1-18(19-6-3-2-4-7-19)17-27(23(29)20-8-5-9-21(24)16-20)13-10-22(28)26-14-11-25-12-15-26/h2-9,16,18,25H,10-15,17H2,1H3
InChIKeyWUDUKBNBTOTGNB-UHFFFAOYSA-N
XLogP2.89
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.49
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-(3-oxo-3-piperazin-1-ylpropyl)-N-[(2S)-2-phenylpropyl]benzamide
CID 94078053
3-fluoro-N-(2-methylpropyl)-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779795
3-chloro-N-(3-oxo-3-piperazin-1-ylpropyl)-N-[(2S)-2-phenylpropyl]benzamide
CID 93057910
N-(3-oxo-3-piperazin-1-ylpropyl)-N-[(2R)-2-phenylpropyl]-4-(trifluoromethyl)benzamide
CID 93057923
4-cyano-N-(3-oxo-3-piperazin-1-ylpropyl)-N-(2-phenylpropyl)benzamide;2,2,2-trifluoroacetic acid
CID 146071301
3-(dimethylamino)-N-(2-oxo-2-piperazin-1-ylethyl)-N-(2-phenylpropyl)benzamide
CID 20934261
3-acetamido-N-(2-oxo-2-piperazin-1-ylethyl)-N-[(2R)-2-phenylpropyl]benzamide
CID 92501968
3-acetamido-N-(2-methylpropyl)-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779586
3-fluoro-N-methyl-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 43603186
N-cyclopentyl-3-fluoro-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779421
N-(2-phenylpropyl)-N-(2-piperazin-1-ylsulfonylethyl)benzamide
CID 50820985
3-[(3-fluorobenzoyl)-(2-methylpropyl)amino]propanoic acid
CID 82324807

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(3-oxo-3-piperazin-1-ylpropyl)-N-(2-phenylpropyl)benzamide?
The IUPAC name of 3-fluoro-N-(3-oxo-3-piperazin-1-ylpropyl)-N-(2-phenylpropyl)benzamide (CID 50779377) is 3-fluoro-N-(3-oxo-3-piperazin-1-ylpropyl)-N-(2-phenylpropyl)benzamide.
What is the SMILES notation for 3-fluoro-N-(3-oxo-3-piperazin-1-ylpropyl)-N-(2-phenylpropyl)benzamide?
The canonical SMILES for 3-fluoro-N-(3-oxo-3-piperazin-1-ylpropyl)-N-(2-phenylpropyl)benzamide is CC(CN(CCC(=O)N1CCNCC1)C(=O)c1cccc(F)c1)c1ccccc1.
What is the InChIKey of 3-fluoro-N-(3-oxo-3-piperazin-1-ylpropyl)-N-(2-phenylpropyl)benzamide?
The InChIKey is WUDUKBNBTOTGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3O2/c1-18(19-6-3-2-4-7-19)17-27(23(29)20-8-5-9-21(24)16-20)13-10-22(28)26-14-11-25-12-15-26/h2-9,16,18,25H,10-15,17H2,1H3.
What are the key properties of 3-fluoro-N-(3-oxo-3-piperazin-1-ylpropyl)-N-(2-phenylpropyl)benzamide?
3-fluoro-N-(3-oxo-3-piperazin-1-ylpropyl)-N-(2-phenylpropyl)benzamide has a molecular weight of 397.49 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(3-oxo-3-piperazin-1-ylpropyl)-N-(2-phenylpropyl)benzamide is sourced from PubChem (CID 50779377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).