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

C23H28ClN3O2 — CID 93057910

IUPAC3-chloro-N-(3-oxo-3-piperazin-1-ylpropyl)-N-[(2S)-2-phenylpropyl]benzamide
SMILESC[C@H](CN(CCC(=O)N1CCNCC1)C(=O)c1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C23H28ClN3O2/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/t18-/m1/s1
InChIKeyWNLUVGVBRZHHQY-GOSISDBHSA-N
MW413.95 g/mol
LogP3.41
Rot. Bonds7

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

3-chloro-N-(3-oxo-3-piperazin-1-ylpropyl)-N-[(2S)-2-phenylpropyl]benzamide (PubChem CID 93057910) has the molecular formula C23H28ClN3O2 and a molecular weight of 413.95 g/mol. Its IUPAC name is 3-chloro-N-(3-oxo-3-piperazin-1-ylpropyl)-N-[(2S)-2-phenylpropyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-(3-oxo-3-piperazin-1-ylpropyl)-N-[(2S)-2-phenylpropyl]benzamide
PubChem CID93057910
Molecular FormulaC23H28ClN3O2
Molecular Weight413.95 g/mol
Exact Mass413.19
IUPAC Name3-chloro-N-(3-oxo-3-piperazin-1-ylpropyl)-N-[(2S)-2-phenylpropyl]benzamide
SMILESC[C@H](CN(CCC(=O)N1CCNCC1)C(=O)c1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C23H28ClN3O2/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/t18-/m1/s1
InChIKeyWNLUVGVBRZHHQY-GOSISDBHSA-N
XLogP3.41
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.95
LogP ≤ 53.41
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
4-fluoro-N-(3-oxo-3-piperazin-1-ylpropyl)-N-[(2S)-2-phenylpropyl]benzamide
CID 94078053
3-chloro-N-(3-oxo-3-piperazin-1-ylpropyl)-N-propylbenzamide
CID 50779613
N-(3-oxo-3-piperazin-1-ylpropyl)-N-[(2R)-2-phenylpropyl]-4-(trifluoromethyl)benzamide
CID 93057923
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
4-cyano-N-(3-oxo-3-piperazin-1-ylpropyl)-N-(2-phenylpropyl)benzamide;2,2,2-trifluoroacetic acid
CID 146071301
3-fluoro-N-(2-methylpropyl)-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779795
3-acetamido-N-(2-methylpropyl)-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779586
N-[(3-chlorophenyl)methyl]-3-methoxy-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779674
4-chloro-N-[(2S)-2-phenylpropyl]-N-(2-piperazin-1-ylsulfonylethyl)benzamide
CID 94090789
N-(2-phenylpropyl)-N-(2-piperazin-1-ylsulfonylethyl)benzamide
CID 50820985

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3-oxo-3-piperazin-1-ylpropyl)-N-[(2S)-2-phenylpropyl]benzamide?
The IUPAC name of 3-chloro-N-(3-oxo-3-piperazin-1-ylpropyl)-N-[(2S)-2-phenylpropyl]benzamide (CID 93057910) is 3-chloro-N-(3-oxo-3-piperazin-1-ylpropyl)-N-[(2S)-2-phenylpropyl]benzamide.
What is the SMILES notation for 3-chloro-N-(3-oxo-3-piperazin-1-ylpropyl)-N-[(2S)-2-phenylpropyl]benzamide?
The canonical SMILES for 3-chloro-N-(3-oxo-3-piperazin-1-ylpropyl)-N-[(2S)-2-phenylpropyl]benzamide is C[C@H](CN(CCC(=O)N1CCNCC1)C(=O)c1cccc(Cl)c1)c1ccccc1.
What is the InChIKey of 3-chloro-N-(3-oxo-3-piperazin-1-ylpropyl)-N-[(2S)-2-phenylpropyl]benzamide?
The InChIKey is WNLUVGVBRZHHQY-GOSISDBHSA-N. The full InChI is InChI=1S/C23H28ClN3O2/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/t18-/m1/s1.
What are the key properties of 3-chloro-N-(3-oxo-3-piperazin-1-ylpropyl)-N-[(2S)-2-phenylpropyl]benzamide?
3-chloro-N-(3-oxo-3-piperazin-1-ylpropyl)-N-[(2S)-2-phenylpropyl]benzamide has a molecular weight of 413.95 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3-oxo-3-piperazin-1-ylpropyl)-N-[(2S)-2-phenylpropyl]benzamide is sourced from PubChem (CID 93057910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).