2-(4-acetylpiperazin-1-ium-1-yl)-N-[2-[(2S)-butan-2-yl]phenyl]acetamide

C18H28N3O2+ — CID 8904341

IUPAC2-(4-acetylpiperazin-1-ium-1-yl)-N-[2-[(2S)-butan-2-yl]phenyl]acetamide
SMILESCC[C@H](C)c1ccccc1NC(=O)C[NH+]1CCN(C(C)=O)CC1
InChIInChI=1S/C18H27N3O2/c1-4-14(2)16-7-5-6-8-17(16)19-18(23)13-20-9-11-21(12-10-20)15(3)22/h5-8,14H,4,9-13H2,1-3H3,(H,19,23)/p+1/t14-/m0/s1
InChIKeyDBIAUMWHZDEKES-AWEZNQCLSA-O
MW318.44 g/mol
LogP0.89
Rot. Bonds5

About 2-(4-acetylpiperazin-1-ium-1-yl)-N-[2-[(2S)-butan-2-yl]phenyl]acetamide

2-(4-acetylpiperazin-1-ium-1-yl)-N-[2-[(2S)-butan-2-yl]phenyl]acetamide (PubChem CID 8904341) has the molecular formula C18H28N3O2+ and a molecular weight of 318.44 g/mol. Its IUPAC name is 2-(4-acetylpiperazin-1-ium-1-yl)-N-[2-[(2S)-butan-2-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-(4-acetylpiperazin-1-ium-1-yl)-N-[2-[(2S)-butan-2-yl]phenyl]acetamide
PubChem CID8904341
Molecular FormulaC18H28N3O2+
Molecular Weight318.44 g/mol
Exact Mass318.22
IUPAC Name2-(4-acetylpiperazin-1-ium-1-yl)-N-[2-[(2S)-butan-2-yl]phenyl]acetamide
SMILESCC[C@H](C)c1ccccc1NC(=O)C[NH+]1CCN(C(C)=O)CC1
InChIInChI=1S/C18H27N3O2/c1-4-14(2)16-7-5-6-8-17(16)19-18(23)13-20-9-11-21(12-10-20)15(3)22/h5-8,14H,4,9-13H2,1-3H3,(H,19,23)/p+1/t14-/m0/s1
InChIKeyDBIAUMWHZDEKES-AWEZNQCLSA-O
XLogP0.89
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(4-acetylpiperazin-1-ium-1-yl)-N-[2-[(2S)-butan-2-yl]phenyl]acetamide with MolForge

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Related Compounds

N-[2-[(2R)-butan-2-yl]phenyl]-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 8687635
N-[2-[(2S)-butan-2-yl]phenyl]-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 8687643
2-(4-acetylpiperazin-1-ium-1-yl)-N-(2-fluorophenyl)acetamide
CID 8904357
N-[2-[(2S)-butan-2-yl]phenyl]-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]acetamide
CID 8590924
N-[2-[(2R)-butan-2-yl]phenyl]-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 8592506
N-[2-[(2R)-butan-2-yl]phenyl]-2-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-ium-1-yl]acetamide
CID 9288488
2-(4-acetylpiperazin-1-ium-1-yl)-N-(2-benzylsulfanylphenyl)acetamide
CID 9033852
N-(2-ethylphenyl)-2-[4-(3-methylbutanoyl)piperazin-1-ium-1-yl]acetamide
CID 9022182
2-(4-acetylpiperazin-1-ium-1-yl)-N-phenylacetamide
CID 8904289
N-[2-[(2R)-butan-2-yl]phenyl]acetamide
CID 959734
2-[[2-(4-acetylpiperazin-1-ium-1-yl)acetyl]amino]-N-phenylbenzamide
CID 7833202
(2S)-2-(4-benzoylpiperazin-1-ium-1-yl)-N-[2-[(2R)-butan-2-yl]phenyl]propanamide
CID 9223233

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylpiperazin-1-ium-1-yl)-N-[2-[(2S)-butan-2-yl]phenyl]acetamide?
The IUPAC name of 2-(4-acetylpiperazin-1-ium-1-yl)-N-[2-[(2S)-butan-2-yl]phenyl]acetamide (CID 8904341) is 2-(4-acetylpiperazin-1-ium-1-yl)-N-[2-[(2S)-butan-2-yl]phenyl]acetamide.
What is the SMILES notation for 2-(4-acetylpiperazin-1-ium-1-yl)-N-[2-[(2S)-butan-2-yl]phenyl]acetamide?
The canonical SMILES for 2-(4-acetylpiperazin-1-ium-1-yl)-N-[2-[(2S)-butan-2-yl]phenyl]acetamide is CC[C@H](C)c1ccccc1NC(=O)C[NH+]1CCN(C(C)=O)CC1.
What is the InChIKey of 2-(4-acetylpiperazin-1-ium-1-yl)-N-[2-[(2S)-butan-2-yl]phenyl]acetamide?
The InChIKey is DBIAUMWHZDEKES-AWEZNQCLSA-O. The full InChI is InChI=1S/C18H27N3O2/c1-4-14(2)16-7-5-6-8-17(16)19-18(23)13-20-9-11-21(12-10-20)15(3)22/h5-8,14H,4,9-13H2,1-3H3,(H,19,23)/p+1/t14-/m0/s1.
What are the key properties of 2-(4-acetylpiperazin-1-ium-1-yl)-N-[2-[(2S)-butan-2-yl]phenyl]acetamide?
2-(4-acetylpiperazin-1-ium-1-yl)-N-[2-[(2S)-butan-2-yl]phenyl]acetamide has a molecular weight of 318.44 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylpiperazin-1-ium-1-yl)-N-[2-[(2S)-butan-2-yl]phenyl]acetamide is sourced from PubChem (CID 8904341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).