2-[4-[(3-acetyl-2,4,6-trimethylphenyl)methyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide

C26H35N3O2 — CID 33075299

IUPAC2-[4-[(3-acetyl-2,4,6-trimethylphenyl)methyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
SMILESCC(=O)c1c(C)cc(C)c(CN2CCN(CC(=O)Nc3c(C)cccc3C)CC2)c1C
InChIInChI=1S/C26H35N3O2/c1-17-8-7-9-18(2)26(17)27-24(31)16-29-12-10-28(11-13-29)15-23-19(3)14-20(4)25(21(23)5)22(6)30/h7-9,14H,10-13,15-16H2,1-6H3,(H,27,31)
InChIKeyQDZRJCDYRCGRGM-UHFFFAOYSA-N
MW421.59 g/mol
LogP4.19
Rot. Bonds6

About 2-[4-[(3-acetyl-2,4,6-trimethylphenyl)methyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide

2-[4-[(3-acetyl-2,4,6-trimethylphenyl)methyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide (PubChem CID 33075299) has the molecular formula C26H35N3O2 and a molecular weight of 421.59 g/mol. Its IUPAC name is 2-[4-[(3-acetyl-2,4,6-trimethylphenyl)methyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[(3-acetyl-2,4,6-trimethylphenyl)methyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
PubChem CID33075299
Molecular FormulaC26H35N3O2
Molecular Weight421.59 g/mol
Exact Mass421.27
IUPAC Name2-[4-[(3-acetyl-2,4,6-trimethylphenyl)methyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
SMILESCC(=O)c1c(C)cc(C)c(CN2CCN(CC(=O)Nc3c(C)cccc3C)CC2)c1C
InChIInChI=1S/C26H35N3O2/c1-17-8-7-9-18(2)26(17)27-24(31)16-29-12-10-28(11-13-29)15-23-19(3)14-20(4)25(21(23)5)22(6)30/h7-9,14H,10-13,15-16H2,1-6H3,(H,27,31)
InChIKeyQDZRJCDYRCGRGM-UHFFFAOYSA-N
XLogP4.19
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.59
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-acetamidoethyl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 8917553
3-[[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]methyl]benzoic acid
CID 122028519
N-(2,6-dimethylphenyl)-2-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 27181214
2-(4-butylpiperazin-1-yl)-N-(2,6-dimethylphenyl)acetamide
CID 11666629
N-(2,6-dimethylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 34731939
2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 22194497
2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 9435782
N-(2,6-dimethylphenyl)-2-[4-[2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl]piperazin-1-yl]acetamide
CID 8744383
N-(2,6-dimethylphenyl)-2-[4-[2-(dipropylamino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 8917545
2-[4-[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 8917657
N-(2,6-dimethylphenyl)-2-[4-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]piperazin-1-yl]acetamide
CID 9435748
N-(2,6-dimethylphenyl)-2-[4-[2-(4-methylphenyl)sulfanylacetyl]piperazin-1-yl]acetamide
CID 24674862

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-acetyl-2,4,6-trimethylphenyl)methyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide?
The IUPAC name of 2-[4-[(3-acetyl-2,4,6-trimethylphenyl)methyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide (CID 33075299) is 2-[4-[(3-acetyl-2,4,6-trimethylphenyl)methyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[4-[(3-acetyl-2,4,6-trimethylphenyl)methyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide?
The canonical SMILES for 2-[4-[(3-acetyl-2,4,6-trimethylphenyl)methyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide is CC(=O)c1c(C)cc(C)c(CN2CCN(CC(=O)Nc3c(C)cccc3C)CC2)c1C.
What is the InChIKey of 2-[4-[(3-acetyl-2,4,6-trimethylphenyl)methyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide?
The InChIKey is QDZRJCDYRCGRGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O2/c1-17-8-7-9-18(2)26(17)27-24(31)16-29-12-10-28(11-13-29)15-23-19(3)14-20(4)25(21(23)5)22(6)30/h7-9,14H,10-13,15-16H2,1-6H3,(H,27,31).
What are the key properties of 2-[4-[(3-acetyl-2,4,6-trimethylphenyl)methyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide?
2-[4-[(3-acetyl-2,4,6-trimethylphenyl)methyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide has a molecular weight of 421.59 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-acetyl-2,4,6-trimethylphenyl)methyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide is sourced from PubChem (CID 33075299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).