2-(4-acetylpiperazin-1-ium-1-yl)-N-phenylacetamide

C14H20N3O2+ — CID 8904289

IUPAC2-(4-acetylpiperazin-1-ium-1-yl)-N-phenylacetamide
SMILESCC(=O)N1CC[NH+](CC(=O)Nc2ccccc2)CC1
InChIInChI=1S/C14H19N3O2/c1-12(18)17-9-7-16(8-10-17)11-14(19)15-13-5-3-2-4-6-13/h2-6H,7-11H2,1H3,(H,15,19)/p+1
InChIKeyYTOQSVDTKQSHNR-UHFFFAOYSA-O
MW262.33 g/mol
LogP-0.63
Rot. Bonds3

About 2-(4-acetylpiperazin-1-ium-1-yl)-N-phenylacetamide

2-(4-acetylpiperazin-1-ium-1-yl)-N-phenylacetamide (PubChem CID 8904289) has the molecular formula C14H20N3O2+ and a molecular weight of 262.33 g/mol. Its IUPAC name is 2-(4-acetylpiperazin-1-ium-1-yl)-N-phenylacetamide.

Molecular Properties

Compound Name2-(4-acetylpiperazin-1-ium-1-yl)-N-phenylacetamide
PubChem CID8904289
Molecular FormulaC14H20N3O2+
Molecular Weight262.33 g/mol
Exact Mass262.16
IUPAC Name2-(4-acetylpiperazin-1-ium-1-yl)-N-phenylacetamide
SMILESCC(=O)N1CC[NH+](CC(=O)Nc2ccccc2)CC1
InChIInChI=1S/C14H19N3O2/c1-12(18)17-9-7-16(8-10-17)11-14(19)15-13-5-3-2-4-6-13/h2-6H,7-11H2,1H3,(H,15,19)/p+1
InChIKeyYTOQSVDTKQSHNR-UHFFFAOYSA-O
XLogP-0.63
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-(4-acetylpiperazin-1-ium-1-yl)acetyl]amino]-N-phenylbenzamide
CID 7833202
2-(4-acetylpiperazin-1-ium-1-yl)-N-(4-tert-butylphenyl)acetamide
CID 8904245
2-(4-acetylpiperazin-1-ium-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 8904321
N-(4-acetylphenyl)-2-(4-benzoylpiperazin-1-ium-1-yl)acetamide
CID 9223591
2-(4-acetylpiperazin-1-ium-1-yl)-N-(2-fluorophenyl)acetamide
CID 8904357
2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-phenylacetamide
CID 6930719
2-(4-acetylpiperazin-1-ium-1-yl)-N-benzhydrylacetamide
CID 7991243
2-(4-benzoylpiperazin-1-ium-1-yl)-N-(4-chlorophenyl)acetamide
CID 9223569
N-(4-acetamidophenyl)-2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]acetamide
CID 8743627
2-(4-acetylpiperazin-1-ium-1-yl)-N-(2-benzylsulfanylphenyl)acetamide
CID 9033852
2-(4-acetylpiperazin-1-ium-1-yl)-N-[2-[(2S)-butan-2-yl]phenyl]acetamide
CID 8904341
2-(4-acetylpiperazin-1-ium-1-yl)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 8904097

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylpiperazin-1-ium-1-yl)-N-phenylacetamide?
The IUPAC name of 2-(4-acetylpiperazin-1-ium-1-yl)-N-phenylacetamide (CID 8904289) is 2-(4-acetylpiperazin-1-ium-1-yl)-N-phenylacetamide.
What is the SMILES notation for 2-(4-acetylpiperazin-1-ium-1-yl)-N-phenylacetamide?
The canonical SMILES for 2-(4-acetylpiperazin-1-ium-1-yl)-N-phenylacetamide is CC(=O)N1CC[NH+](CC(=O)Nc2ccccc2)CC1.
What is the InChIKey of 2-(4-acetylpiperazin-1-ium-1-yl)-N-phenylacetamide?
The InChIKey is YTOQSVDTKQSHNR-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H19N3O2/c1-12(18)17-9-7-16(8-10-17)11-14(19)15-13-5-3-2-4-6-13/h2-6H,7-11H2,1H3,(H,15,19)/p+1.
What are the key properties of 2-(4-acetylpiperazin-1-ium-1-yl)-N-phenylacetamide?
2-(4-acetylpiperazin-1-ium-1-yl)-N-phenylacetamide has a molecular weight of 262.33 g/mol, XLogP of -0.63, 3 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-phenylacetamide is sourced from PubChem (CID 8904289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).