2-(4-acetylpiperazin-1-ium-1-yl)-N-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]acetamide

C20H32N3O2+ — CID 9276356

IUPAC2-(4-acetylpiperazin-1-ium-1-yl)-N-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]acetamide
SMILESCCc1ccc([C@@H](NC(=O)C[NH+]2CCN(C(C)=O)CC2)C(C)C)cc1
InChIInChI=1S/C20H31N3O2/c1-5-17-6-8-18(9-7-17)20(15(2)3)21-19(25)14-22-10-12-23(13-11-22)16(4)24/h6-9,15,20H,5,10-14H2,1-4H3,(H,21,25)/p+1/t20-/m0/s1
InChIKeyUWGCALWQTNXLKZ-FQEVSTJZSA-O
MW346.50 g/mol
LogP0.81
Rot. Bonds6

About 2-(4-acetylpiperazin-1-ium-1-yl)-N-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]acetamide

2-(4-acetylpiperazin-1-ium-1-yl)-N-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]acetamide (PubChem CID 9276356) has the molecular formula C20H32N3O2+ and a molecular weight of 346.50 g/mol. Its IUPAC name is 2-(4-acetylpiperazin-1-ium-1-yl)-N-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]acetamide.

Molecular Properties

Compound Name2-(4-acetylpiperazin-1-ium-1-yl)-N-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]acetamide
PubChem CID9276356
Molecular FormulaC20H32N3O2+
Molecular Weight346.50 g/mol
Exact Mass346.25
IUPAC Name2-(4-acetylpiperazin-1-ium-1-yl)-N-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]acetamide
SMILESCCc1ccc([C@@H](NC(=O)C[NH+]2CCN(C(C)=O)CC2)C(C)C)cc1
InChIInChI=1S/C20H31N3O2/c1-5-17-6-8-18(9-7-17)20(15(2)3)21-19(25)14-22-10-12-23(13-11-22)16(4)24/h6-9,15,20H,5,10-14H2,1-4H3,(H,21,25)/p+1/t20-/m0/s1
InChIKeyUWGCALWQTNXLKZ-FQEVSTJZSA-O
XLogP0.81
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(butan-2-ylamino)-N-[1-(4-ethylphenyl)-2-methylpropyl]acetamide
CID 60684128
2-(4-acetylpiperazin-1-ium-1-yl)-N-benzhydrylacetamide
CID 7991243
N-[(1S)-1-(4-ethylphenyl)ethyl]-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetamide
CID 8704045
[2-[4-[2-(tert-butylamino)-2-oxoethyl]piperazin-4-ium-1-yl]-2-oxoethyl]-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]azanium
CID 8992612
ethyl 4-[2-[[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]amino]-2-oxoethyl]piperazin-4-ium-1-carboxylate
CID 8931990
N-[2-[[1-(4-ethylphenyl)-2-methylpropyl]amino]-2-oxoethyl]-2-phenylacetamide
CID 55437912
N-[1-(4-ethylphenyl)-2-methylpropyl]-2-(2-oxo-1,3-thiazolidin-3-yl)acetamide
CID 18090465
3-amino-N-[1-(4-ethylphenyl)-2-methylpropyl]-3-methylbutanamide
CID 64678600
2-(4-acetylpiperazin-1-yl)-N-[1-(4-ethylphenyl)ethyl]-2-oxoacetamide
CID 108508281
methyl 1-[2-[[(1R)-1-(4-ethylphenyl)ethyl]amino]-2-oxoethyl]piperidin-1-ium-4-carboxylate
CID 8754516
N-[(1R)-1-(4-ethylphenyl)-2-methylpropyl]-2,2-diphenylacetamide
CID 7671231
2-(4-acetylpiperazin-1-ium-1-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 8904385

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylpiperazin-1-ium-1-yl)-N-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]acetamide?
The IUPAC name of 2-(4-acetylpiperazin-1-ium-1-yl)-N-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]acetamide (CID 9276356) is 2-(4-acetylpiperazin-1-ium-1-yl)-N-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]acetamide.
What is the SMILES notation for 2-(4-acetylpiperazin-1-ium-1-yl)-N-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]acetamide?
The canonical SMILES for 2-(4-acetylpiperazin-1-ium-1-yl)-N-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]acetamide is CCc1ccc([C@@H](NC(=O)C[NH+]2CCN(C(C)=O)CC2)C(C)C)cc1.
What is the InChIKey of 2-(4-acetylpiperazin-1-ium-1-yl)-N-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]acetamide?
The InChIKey is UWGCALWQTNXLKZ-FQEVSTJZSA-O. The full InChI is InChI=1S/C20H31N3O2/c1-5-17-6-8-18(9-7-17)20(15(2)3)21-19(25)14-22-10-12-23(13-11-22)16(4)24/h6-9,15,20H,5,10-14H2,1-4H3,(H,21,25)/p+1/t20-/m0/s1.
What are the key properties of 2-(4-acetylpiperazin-1-ium-1-yl)-N-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]acetamide?
2-(4-acetylpiperazin-1-ium-1-yl)-N-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]acetamide has a molecular weight of 346.50 g/mol, XLogP of 0.81, 6 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-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]acetamide is sourced from PubChem (CID 9276356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).