3-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1-carbonyl]benzamide

C22H26N4O3 — CID 46569274

IUPAC3-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1-carbonyl]benzamide
SMILESCc1cccc(C)c1NC(=O)CN1CCN(C(=O)c2cccc(C(N)=O)c2)CC1
InChIInChI=1S/C22H26N4O3/c1-15-5-3-6-16(2)20(15)24-19(27)14-25-9-11-26(12-10-25)22(29)18-8-4-7-17(13-18)21(23)28/h3-8,13H,9-12,14H2,1-2H3,(H2,23,28)(H,24,27)
InChIKeyYKPPSXGIQDZMMO-UHFFFAOYSA-N
MW394.48 g/mol
LogP1.80
Rot. Bonds5

About 3-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1-carbonyl]benzamide

3-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1-carbonyl]benzamide (PubChem CID 46569274) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is 3-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1-carbonyl]benzamide.

Molecular Properties

Compound Name3-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1-carbonyl]benzamide
PubChem CID46569274
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name3-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1-carbonyl]benzamide
SMILESCc1cccc(C)c1NC(=O)CN1CCN(C(=O)c2cccc(C(N)=O)c2)CC1
InChIInChI=1S/C22H26N4O3/c1-15-5-3-6-16(2)20(15)24-19(27)14-25-9-11-26(12-10-25)22(29)18-8-4-7-17(13-18)21(23)28/h3-8,13H,9-12,14H2,1-2H3,(H2,23,28)(H,24,27)
InChIKeyYKPPSXGIQDZMMO-UHFFFAOYSA-N
XLogP1.80
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1-carbonyl]benzamide
CID 27850994
2-[4-[3-(difluoromethoxy)benzoyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 9021429
N-[4-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1-carbonyl]phenyl]benzamide
CID 134006916
3-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazine-1-carbonyl]benzamide
CID 30828376
2-[4-(5-bromopyridine-3-carbonyl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 17499455
N-(2,6-dimethylphenyl)-2-[4-(3,4,5-triethoxybenzoyl)piperazin-1-yl]acetamide
CID 27850735
2-[4-(2,4-dimethylbenzoyl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 27850854
N-(2,6-dimethylphenyl)-2-[4-[4-(methoxymethyl)benzoyl]piperazin-1-yl]acetamide
CID 9021581
N-(2,6-dimethylphenyl)-2-[4-(3-methoxy-4-prop-2-enoxybenzoyl)piperazin-1-yl]acetamide
CID 24547645
N-(2,6-dimethylphenyl)-2-[4-(3-methylthiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 22107886
N-(2,6-dimethylphenyl)-2-[4-[4-(2-methylpropoxy)benzoyl]piperazin-1-yl]acetamide
CID 9021597
3-[[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazin-1-yl]methyl]benzoic acid
CID 122028519

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1-carbonyl]benzamide?
The IUPAC name of 3-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1-carbonyl]benzamide (CID 46569274) is 3-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1-carbonyl]benzamide.
What is the SMILES notation for 3-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1-carbonyl]benzamide?
The canonical SMILES for 3-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1-carbonyl]benzamide is Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)c2cccc(C(N)=O)c2)CC1.
What is the InChIKey of 3-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1-carbonyl]benzamide?
The InChIKey is YKPPSXGIQDZMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-15-5-3-6-16(2)20(15)24-19(27)14-25-9-11-26(12-10-25)22(29)18-8-4-7-17(13-18)21(23)28/h3-8,13H,9-12,14H2,1-2H3,(H2,23,28)(H,24,27).
What are the key properties of 3-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1-carbonyl]benzamide?
3-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1-carbonyl]benzamide has a molecular weight of 394.48 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1-carbonyl]benzamide is sourced from PubChem (CID 46569274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).