2-[4-(2,4-dimethylbenzoyl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide

C23H29N3O2 — CID 27850854

IUPAC2-[4-(2,4-dimethylbenzoyl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
SMILESCc1ccc(C(=O)N2CCN(CC(=O)Nc3c(C)cccc3C)CC2)c(C)c1
InChIInChI=1S/C23H29N3O2/c1-16-8-9-20(19(4)14-16)23(28)26-12-10-25(11-13-26)15-21(27)24-22-17(2)6-5-7-18(22)3/h5-9,14H,10-13,15H2,1-4H3,(H,24,27)
InChIKeyYXDPZCOTEPVHPE-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.32
Rot. Bonds4

About 2-[4-(2,4-dimethylbenzoyl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide

2-[4-(2,4-dimethylbenzoyl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide (PubChem CID 27850854) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 2-[4-(2,4-dimethylbenzoyl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-(2,4-dimethylbenzoyl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
PubChem CID27850854
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name2-[4-(2,4-dimethylbenzoyl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
SMILESCc1ccc(C(=O)N2CCN(CC(=O)Nc3c(C)cccc3C)CC2)c(C)c1
InChIInChI=1S/C23H29N3O2/c1-16-8-9-20(19(4)14-16)23(28)26-12-10-25(11-13-26)15-21(27)24-22-17(2)6-5-7-18(22)3/h5-9,14H,10-13,15H2,1-4H3,(H,24,27)
InChIKeyYXDPZCOTEPVHPE-UHFFFAOYSA-N
XLogP3.32
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1-carbonyl]benzamide
CID 27850994
N-(2,6-dimethylphenyl)-2-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]acetamide
CID 17498739
3-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1-carbonyl]benzamide
CID 46569274
N-(2,6-dimethylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 34731939
N-(2,6-dimethylphenyl)-2-[4-[2-(2-phenylethyl)benzoyl]piperazin-1-yl]acetamide
CID 37213698
N-(2,6-dimethylphenyl)-2-[4-(3-ethoxynaphthalene-2-carbonyl)piperazin-1-yl]acetamide
CID 17499597
N-(2,6-dimethylphenyl)-2-[4-[2-(4-methylphenyl)sulfanylacetyl]piperazin-1-yl]acetamide
CID 24674862
N-(2,6-dimethylphenyl)-2-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 22107886
N-(2,6-dimethylphenyl)-2-[4-[4-(methoxymethyl)benzoyl]piperazin-1-yl]acetamide
CID 9021581
N-(2,6-dimethylphenyl)-2-[4-[1-(2-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]piperazin-1-yl]acetamide
CID 37213673
N-[4-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1-carbonyl]phenyl]benzamide
CID 134006916
2-[4-(5-bromopyridine-3-carbonyl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 17499455

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,4-dimethylbenzoyl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide?
The IUPAC name of 2-[4-(2,4-dimethylbenzoyl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide (CID 27850854) is 2-[4-(2,4-dimethylbenzoyl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[4-(2,4-dimethylbenzoyl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide?
The canonical SMILES for 2-[4-(2,4-dimethylbenzoyl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide is Cc1ccc(C(=O)N2CCN(CC(=O)Nc3c(C)cccc3C)CC2)c(C)c1.
What is the InChIKey of 2-[4-(2,4-dimethylbenzoyl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide?
The InChIKey is YXDPZCOTEPVHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-16-8-9-20(19(4)14-16)23(28)26-12-10-25(11-13-26)15-21(27)24-22-17(2)6-5-7-18(22)3/h5-9,14H,10-13,15H2,1-4H3,(H,24,27).
What are the key properties of 2-[4-(2,4-dimethylbenzoyl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide?
2-[4-(2,4-dimethylbenzoyl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide has a molecular weight of 379.50 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,4-dimethylbenzoyl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide is sourced from PubChem (CID 27850854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).