2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide

C23H35N5O — CID 90561223

IUPAC2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CN2CCN(CCn3ccnc3C(C)C)CC2)c(C)c1
InChIInChI=1S/C23H35N5O/c1-17(2)23-24-6-7-28(23)13-12-26-8-10-27(11-9-26)16-21(29)25-22-19(4)14-18(3)15-20(22)5/h6-7,14-15,17H,8-13,16H2,1-5H3,(H,25,29)
InChIKeyINLPDASEZDICFS-UHFFFAOYSA-N
MW397.57 g/mol
LogP3.19
Rot. Bonds7

About 2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide

2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 90561223) has the molecular formula C23H35N5O and a molecular weight of 397.57 g/mol. Its IUPAC name is 2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID90561223
Molecular FormulaC23H35N5O
Molecular Weight397.57 g/mol
Exact Mass397.28
IUPAC Name2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CN2CCN(CCn3ccnc3C(C)C)CC2)c(C)c1
InChIInChI=1S/C23H35N5O/c1-17(2)23-24-6-7-28(23)13-12-26-8-10-27(11-9-26)16-21(29)25-22-19(4)14-18(3)15-20(22)5/h6-7,14-15,17H,8-13,16H2,1-5H3,(H,25,29)
InChIKeyINLPDASEZDICFS-UHFFFAOYSA-N
XLogP3.19
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.57
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-bromophenyl)-2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide
CID 90561231
2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]-N-pyridin-3-ylacetamide
CID 90561328
N-(2,5-dimethoxyphenyl)-2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide
CID 90561242
N-(4-methylphenyl)-4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazine-1-carboxamide
CID 90561341
2-[16-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 3090863
2-[4-(2-phenoxyethyl)piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 9259876
2-(3-methylphenyl)-1-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone
CID 90561106
N-(3-methylphenyl)-2-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]acetamide
CID 90494174
1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone
CID 90561290
ethyl 4-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperazine-1-carboxylate;hydrochloride
CID 3066137
2-[2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]ethyl]isoindole-1,3-dione
CID 90561293
3-(4-methylpiperazin-1-yl)-N-(2,4,6-trimethylphenyl)propanamide
CID 110858181

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide (CID 90561223) is 2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide is Cc1cc(C)c(NC(=O)CN2CCN(CCn3ccnc3C(C)C)CC2)c(C)c1.
What is the InChIKey of 2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is INLPDASEZDICFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N5O/c1-17(2)23-24-6-7-28(23)13-12-26-8-10-27(11-9-26)16-21(29)25-22-19(4)14-18(3)15-20(22)5/h6-7,14-15,17H,8-13,16H2,1-5H3,(H,25,29).
What are the key properties of 2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide?
2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 397.57 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 90561223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).