4-fluoro-N-(3-oxo-3-piperazin-1-ylpropyl)-N-[(2S)-2-phenylpropyl]benzamide

C23H28FN3O2 — CID 94078053

IUPAC4-fluoro-N-(3-oxo-3-piperazin-1-ylpropyl)-N-[(2S)-2-phenylpropyl]benzamide
SMILESC[C@H](CN(CCC(=O)N1CCNCC1)C(=O)c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C23H28FN3O2/c1-18(19-5-3-2-4-6-19)17-27(23(29)20-7-9-21(24)10-8-20)14-11-22(28)26-15-12-25-13-16-26/h2-10,18,25H,11-17H2,1H3/t18-/m1/s1
InChIKeyKWDIJMXJBSIXAP-GOSISDBHSA-N
MW397.49 g/mol
LogP2.89
Rot. Bonds7

About 4-fluoro-N-(3-oxo-3-piperazin-1-ylpropyl)-N-[(2S)-2-phenylpropyl]benzamide

4-fluoro-N-(3-oxo-3-piperazin-1-ylpropyl)-N-[(2S)-2-phenylpropyl]benzamide (PubChem CID 94078053) has the molecular formula C23H28FN3O2 and a molecular weight of 397.49 g/mol. Its IUPAC name is 4-fluoro-N-(3-oxo-3-piperazin-1-ylpropyl)-N-[(2S)-2-phenylpropyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-(3-oxo-3-piperazin-1-ylpropyl)-N-[(2S)-2-phenylpropyl]benzamide
PubChem CID94078053
Molecular FormulaC23H28FN3O2
Molecular Weight397.49 g/mol
Exact Mass397.22
IUPAC Name4-fluoro-N-(3-oxo-3-piperazin-1-ylpropyl)-N-[(2S)-2-phenylpropyl]benzamide
SMILESC[C@H](CN(CCC(=O)N1CCNCC1)C(=O)c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C23H28FN3O2/c1-18(19-5-3-2-4-6-19)17-27(23(29)20-7-9-21(24)10-8-20)14-11-22(28)26-15-12-25-13-16-26/h2-10,18,25H,11-17H2,1H3/t18-/m1/s1
InChIKeyKWDIJMXJBSIXAP-GOSISDBHSA-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

3-fluoro-N-(3-oxo-3-piperazin-1-ylpropyl)-N-(2-phenylpropyl)benzamide
CID 50779377
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-chloro-N-(3-oxo-3-piperazin-1-ylpropyl)-N-[(2S)-2-phenylpropyl]benzamide
CID 93057910
3-fluoro-N-(2-methylpropyl)-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779795
N-(2-phenylpropyl)-N-(2-piperazin-1-ylsulfonylethyl)benzamide
CID 50820985
4-fluoro-N-(3-oxo-3-piperazin-1-ylpropyl)-N-(3-propan-2-yloxypropyl)benzamide;2,2,2-trifluoroacetic acid
CID 146057484
4-methoxy-N-(2-methylpropyl)-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779618
3-(dimethylamino)-N-(2-oxo-2-piperazin-1-ylethyl)-N-(2-phenylpropyl)benzamide
CID 20934261
4-chloro-N-[(2S)-2-phenylpropyl]-N-(2-piperazin-1-ylsulfonylethyl)benzamide
CID 94090789
3-acetamido-N-(2-oxo-2-piperazin-1-ylethyl)-N-[(2R)-2-phenylpropyl]benzamide
CID 92501968
4-ethoxy-N-[(4-fluorophenyl)methyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779414

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(3-oxo-3-piperazin-1-ylpropyl)-N-[(2S)-2-phenylpropyl]benzamide?
The IUPAC name of 4-fluoro-N-(3-oxo-3-piperazin-1-ylpropyl)-N-[(2S)-2-phenylpropyl]benzamide (CID 94078053) is 4-fluoro-N-(3-oxo-3-piperazin-1-ylpropyl)-N-[(2S)-2-phenylpropyl]benzamide.
What is the SMILES notation for 4-fluoro-N-(3-oxo-3-piperazin-1-ylpropyl)-N-[(2S)-2-phenylpropyl]benzamide?
The canonical SMILES for 4-fluoro-N-(3-oxo-3-piperazin-1-ylpropyl)-N-[(2S)-2-phenylpropyl]benzamide is C[C@H](CN(CCC(=O)N1CCNCC1)C(=O)c1ccc(F)cc1)c1ccccc1.
What is the InChIKey of 4-fluoro-N-(3-oxo-3-piperazin-1-ylpropyl)-N-[(2S)-2-phenylpropyl]benzamide?
The InChIKey is KWDIJMXJBSIXAP-GOSISDBHSA-N. The full InChI is InChI=1S/C23H28FN3O2/c1-18(19-5-3-2-4-6-19)17-27(23(29)20-7-9-21(24)10-8-20)14-11-22(28)26-15-12-25-13-16-26/h2-10,18,25H,11-17H2,1H3/t18-/m1/s1.
What are the key properties of 4-fluoro-N-(3-oxo-3-piperazin-1-ylpropyl)-N-[(2S)-2-phenylpropyl]benzamide?
4-fluoro-N-(3-oxo-3-piperazin-1-ylpropyl)-N-[(2S)-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 4-fluoro-N-(3-oxo-3-piperazin-1-ylpropyl)-N-[(2S)-2-phenylpropyl]benzamide is sourced from PubChem (CID 94078053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).