2-(4-benzoylpiperazin-1-ium-1-yl)-N-[(2R)-2-phenylpropyl]acetamide

C22H28N3O2+ — CID 9223403

IUPAC2-(4-benzoylpiperazin-1-ium-1-yl)-N-[(2R)-2-phenylpropyl]acetamide
SMILESC[C@@H](CNC(=O)C[NH+]1CCN(C(=O)c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C22H27N3O2/c1-18(19-8-4-2-5-9-19)16-23-21(26)17-24-12-14-25(15-13-24)22(27)20-10-6-3-7-11-20/h2-11,18H,12-17H2,1H3,(H,23,26)/p+1/t18-/m0/s1
InChIKeyWGDDNMZJUHGPCE-SFHVURJKSA-O
MW366.49 g/mol
LogP0.95
Rot. Bonds6

About 2-(4-benzoylpiperazin-1-ium-1-yl)-N-[(2R)-2-phenylpropyl]acetamide

2-(4-benzoylpiperazin-1-ium-1-yl)-N-[(2R)-2-phenylpropyl]acetamide (PubChem CID 9223403) has the molecular formula C22H28N3O2+ and a molecular weight of 366.49 g/mol. Its IUPAC name is 2-(4-benzoylpiperazin-1-ium-1-yl)-N-[(2R)-2-phenylpropyl]acetamide.

Molecular Properties

Compound Name2-(4-benzoylpiperazin-1-ium-1-yl)-N-[(2R)-2-phenylpropyl]acetamide
PubChem CID9223403
Molecular FormulaC22H28N3O2+
Molecular Weight366.49 g/mol
Exact Mass366.22
IUPAC Name2-(4-benzoylpiperazin-1-ium-1-yl)-N-[(2R)-2-phenylpropyl]acetamide
SMILESC[C@@H](CNC(=O)C[NH+]1CCN(C(=O)c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C22H27N3O2/c1-18(19-8-4-2-5-9-19)16-23-21(26)17-24-12-14-25(15-13-24)22(27)20-10-6-3-7-11-20/h2-11,18H,12-17H2,1H3,(H,23,26)/p+1/t18-/m0/s1
InChIKeyWGDDNMZJUHGPCE-SFHVURJKSA-O
XLogP0.95
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-[(2S)-2-phenylpropyl]acetamide
CID 8591644
2-(4-benzoylpiperazin-1-ium-1-yl)-N-[(2S)-butan-2-yl]acetamide
CID 9223695
2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-[(2S)-2-phenylpropyl]acetamide
CID 8704079
(2S)-2-[[2-(4-benzoylpiperazin-1-ium-1-yl)acetyl]amino]-N-ethylpropanamide
CID 8597347
2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]-N-[(2S)-2-phenylpropyl]acetamide
CID 8590814
2-(4-benzoylpiperazin-1-ium-1-yl)-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
CID 8597391
2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(2R)-2-phenylpropyl]acetamide
CID 8744425
2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(2S)-2-phenylpropyl]acetamide
CID 8744416
2-(4-benzoylpiperazin-1-ium-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 9223461
2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-[(2R)-2-phenylpropyl]acetamide
CID 8773315
2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium-1-yl]-N-[(2S)-2-phenylpropyl]acetamide
CID 8544729
2-(4-benzoylpiperazin-1-ium-1-yl)-N-[(1S)-1-(4-methylphenyl)propyl]acetamide
CID 9223397

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzoylpiperazin-1-ium-1-yl)-N-[(2R)-2-phenylpropyl]acetamide?
The IUPAC name of 2-(4-benzoylpiperazin-1-ium-1-yl)-N-[(2R)-2-phenylpropyl]acetamide (CID 9223403) is 2-(4-benzoylpiperazin-1-ium-1-yl)-N-[(2R)-2-phenylpropyl]acetamide.
What is the SMILES notation for 2-(4-benzoylpiperazin-1-ium-1-yl)-N-[(2R)-2-phenylpropyl]acetamide?
The canonical SMILES for 2-(4-benzoylpiperazin-1-ium-1-yl)-N-[(2R)-2-phenylpropyl]acetamide is C[C@@H](CNC(=O)C[NH+]1CCN(C(=O)c2ccccc2)CC1)c1ccccc1.
What is the InChIKey of 2-(4-benzoylpiperazin-1-ium-1-yl)-N-[(2R)-2-phenylpropyl]acetamide?
The InChIKey is WGDDNMZJUHGPCE-SFHVURJKSA-O. The full InChI is InChI=1S/C22H27N3O2/c1-18(19-8-4-2-5-9-19)16-23-21(26)17-24-12-14-25(15-13-24)22(27)20-10-6-3-7-11-20/h2-11,18H,12-17H2,1H3,(H,23,26)/p+1/t18-/m0/s1.
What are the key properties of 2-(4-benzoylpiperazin-1-ium-1-yl)-N-[(2R)-2-phenylpropyl]acetamide?
2-(4-benzoylpiperazin-1-ium-1-yl)-N-[(2R)-2-phenylpropyl]acetamide has a molecular weight of 366.49 g/mol, XLogP of 0.95, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzoylpiperazin-1-ium-1-yl)-N-[(2R)-2-phenylpropyl]acetamide is sourced from PubChem (CID 9223403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).