N-(2,6-diethylphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide

C22H30N3O2+ — CID 8690899

IUPACN-(2,6-diethylphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide
SMILESCCc1cccc(CC)c1NC(=O)C[NH+]1CCN(c2ccc(O)cc2)CC1
InChIInChI=1S/C22H29N3O2/c1-3-17-6-5-7-18(4-2)22(17)23-21(27)16-24-12-14-25(15-13-24)19-8-10-20(26)11-9-19/h5-11,26H,3-4,12-16H2,1-2H3,(H,23,27)/p+1
InChIKeyIYBPYSFLDFLIAI-UHFFFAOYSA-O
MW368.50 g/mol
LogP1.86
Rot. Bonds6

About N-(2,6-diethylphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide

N-(2,6-diethylphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide (PubChem CID 8690899) has the molecular formula C22H30N3O2+ and a molecular weight of 368.50 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide
PubChem CID8690899
Molecular FormulaC22H30N3O2+
Molecular Weight368.50 g/mol
Exact Mass368.23
IUPAC NameN-(2,6-diethylphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide
SMILESCCc1cccc(CC)c1NC(=O)C[NH+]1CCN(c2ccc(O)cc2)CC1
InChIInChI=1S/C22H29N3O2/c1-3-17-6-5-7-18(4-2)22(17)23-21(27)16-24-12-14-25(15-13-24)19-8-10-20(26)11-9-19/h5-11,26H,3-4,12-16H2,1-2H3,(H,23,27)/p+1
InChIKeyIYBPYSFLDFLIAI-UHFFFAOYSA-O
XLogP1.86
TPSA57.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-diethylphenyl)-2-(4-phenylpiperazin-1-ium-1-yl)acetamide
CID 6985943
2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(2-ethyl-6-methylphenyl)acetamide
CID 2656293
N-(3-bromophenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 2161088
2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-[(2S)-pentan-2-yl]acetamide
CID 8691263
N-[[(2S)-butan-2-yl]carbamoyl]-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 8690331
N-(2,6-diethylphenyl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetamide
CID 8932704
propan-2-yl 4-[[2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetyl]amino]benzoate
CID 8690545
N-(4-bromophenyl)-2-[4-(4-ethylphenyl)piperazin-1-ium-1-yl]acetamide
CID 3494423
N-(2-ethyl-6-methylphenyl)-2-morpholin-4-ium-4-ylacetamide
CID 6951792
2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-phenylacetamide
CID 6930719
2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 8691283
2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-(2-ethyl-6-methylphenyl)acetamide
CID 2655625

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide?
The IUPAC name of N-(2,6-diethylphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide (CID 8690899) is N-(2,6-diethylphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide?
The canonical SMILES for N-(2,6-diethylphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide is CCc1cccc(CC)c1NC(=O)C[NH+]1CCN(c2ccc(O)cc2)CC1.
What is the InChIKey of N-(2,6-diethylphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide?
The InChIKey is IYBPYSFLDFLIAI-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H29N3O2/c1-3-17-6-5-7-18(4-2)22(17)23-21(27)16-24-12-14-25(15-13-24)19-8-10-20(26)11-9-19/h5-11,26H,3-4,12-16H2,1-2H3,(H,23,27)/p+1.
What are the key properties of N-(2,6-diethylphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide?
N-(2,6-diethylphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide has a molecular weight of 368.50 g/mol, XLogP of 1.86, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]acetamide is sourced from PubChem (CID 8690899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).