2-(4-acetylpiperazin-1-ium-1-yl)-N-(4-tert-butylphenyl)acetamide

C18H28N3O2+ — CID 8904245

IUPAC2-(4-acetylpiperazin-1-ium-1-yl)-N-(4-tert-butylphenyl)acetamide
SMILESCC(=O)N1CC[NH+](CC(=O)Nc2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C18H27N3O2/c1-14(22)21-11-9-20(10-12-21)13-17(23)19-16-7-5-15(6-8-16)18(2,3)4/h5-8H,9-13H2,1-4H3,(H,19,23)/p+1
InChIKeyUESDFKGRVSIIKO-UHFFFAOYSA-O
MW318.44 g/mol
LogP0.67
Rot. Bonds3

About 2-(4-acetylpiperazin-1-ium-1-yl)-N-(4-tert-butylphenyl)acetamide

2-(4-acetylpiperazin-1-ium-1-yl)-N-(4-tert-butylphenyl)acetamide (PubChem CID 8904245) 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-(4-tert-butylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-acetylpiperazin-1-ium-1-yl)-N-(4-tert-butylphenyl)acetamide
PubChem CID8904245
Molecular FormulaC18H28N3O2+
Molecular Weight318.44 g/mol
Exact Mass318.22
IUPAC Name2-(4-acetylpiperazin-1-ium-1-yl)-N-(4-tert-butylphenyl)acetamide
SMILESCC(=O)N1CC[NH+](CC(=O)Nc2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C18H27N3O2/c1-14(22)21-11-9-20(10-12-21)13-17(23)19-16-7-5-15(6-8-16)18(2,3)4/h5-8H,9-13H2,1-4H3,(H,19,23)/p+1
InChIKeyUESDFKGRVSIIKO-UHFFFAOYSA-O
XLogP0.67
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-acetylpiperazin-1-ium-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 8904321
2-(4-acetylpiperazin-1-ium-1-yl)-N-phenylacetamide
CID 8904289
methyl 1-[2-(4-tert-butylanilino)-2-oxoethyl]piperidin-1-ium-4-carboxylate
CID 8742170
2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-(3,4-dichlorophenyl)acetamide
CID 2700166
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
N-(4-tert-butylphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide
CID 8897181
2-[[2-(4-acetylpiperazin-1-ium-1-yl)acetyl]amino]-N-phenylbenzamide
CID 7833202
N-(4-acetamidophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetamide
CID 8932752
2-(4-methylpiperazine-1,4-diium-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 8896609
2-[4-(cyclopropanecarbonyl)piperazin-1-ium-1-yl]-N-(4-fluorophenyl)acetamide
CID 9022112
N-(4-bromophenyl)-2-[4-(piperidine-1-carbonyl)piperazin-1-ium-1-yl]acetamide
CID 6958762

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylpiperazin-1-ium-1-yl)-N-(4-tert-butylphenyl)acetamide?
The IUPAC name of 2-(4-acetylpiperazin-1-ium-1-yl)-N-(4-tert-butylphenyl)acetamide (CID 8904245) is 2-(4-acetylpiperazin-1-ium-1-yl)-N-(4-tert-butylphenyl)acetamide.
What is the SMILES notation for 2-(4-acetylpiperazin-1-ium-1-yl)-N-(4-tert-butylphenyl)acetamide?
The canonical SMILES for 2-(4-acetylpiperazin-1-ium-1-yl)-N-(4-tert-butylphenyl)acetamide is CC(=O)N1CC[NH+](CC(=O)Nc2ccc(C(C)(C)C)cc2)CC1.
What is the InChIKey of 2-(4-acetylpiperazin-1-ium-1-yl)-N-(4-tert-butylphenyl)acetamide?
The InChIKey is UESDFKGRVSIIKO-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H27N3O2/c1-14(22)21-11-9-20(10-12-21)13-17(23)19-16-7-5-15(6-8-16)18(2,3)4/h5-8H,9-13H2,1-4H3,(H,19,23)/p+1.
What are the key properties of 2-(4-acetylpiperazin-1-ium-1-yl)-N-(4-tert-butylphenyl)acetamide?
2-(4-acetylpiperazin-1-ium-1-yl)-N-(4-tert-butylphenyl)acetamide has a molecular weight of 318.44 g/mol, XLogP of 0.67, 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-(4-tert-butylphenyl)acetamide is sourced from PubChem (CID 8904245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).