N-(2,6-diethylphenyl)-2-(4-formylpiperazin-1-yl)acetamide

C17H25N3O2 — CID 108995795

IUPACN-(2,6-diethylphenyl)-2-(4-formylpiperazin-1-yl)acetamide
SMILESCCc1cccc(CC)c1NC(=O)CN1CCN(C=O)CC1
InChIInChI=1S/C17H25N3O2/c1-3-14-6-5-7-15(4-2)17(14)18-16(22)12-19-8-10-20(13-21)11-9-19/h5-7,13H,3-4,8-12H2,1-2H3,(H,18,22)
InChIKeyXQMRQQRGHRNRIL-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.52
Rot. Bonds6

About N-(2,6-diethylphenyl)-2-(4-formylpiperazin-1-yl)acetamide

N-(2,6-diethylphenyl)-2-(4-formylpiperazin-1-yl)acetamide (PubChem CID 108995795) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-2-(4-formylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-2-(4-formylpiperazin-1-yl)acetamide
PubChem CID108995795
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC NameN-(2,6-diethylphenyl)-2-(4-formylpiperazin-1-yl)acetamide
SMILESCCc1cccc(CC)c1NC(=O)CN1CCN(C=O)CC1
InChIInChI=1S/C17H25N3O2/c1-3-14-6-5-7-15(4-2)17(14)18-16(22)12-19-8-10-20(13-21)11-9-19/h5-7,13H,3-4,8-12H2,1-2H3,(H,18,22)
InChIKeyXQMRQQRGHRNRIL-UHFFFAOYSA-N
XLogP1.52
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-(2-chlorophenyl)-2-[4-[2-(2,6-diethylanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 29161563
N-(2,6-diethylphenyl)-2-(4-methylpiperidin-1-yl)acetamide
CID 22197689
N-(2,6-diethylphenyl)-2-(4-hydroxypiperidin-1-yl)acetamide
CID 51171911
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2,6-diethylphenyl)acetamide
CID 6466721
N-(2,6-diethylphenyl)-4-formylpiperazine-1-carbothioamide
CID 2100934
N-(2,6-diethylphenyl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 9266469
N-(2,6-diethylphenyl)-3-(4-formylpiperazin-1-yl)-2,2-dimethyl-3-oxopropanamide
CID 108961095
N-(2,6-diethylphenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)acetamide
CID 22197328
N-(2,6-diethylphenyl)-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]acetamide
CID 37404084
N-(2,6-diethylphenyl)-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]acetamide
CID 8930429
N-(3-chlorophenyl)-2-(4-formylpiperazin-1-yl)acetamide
CID 108995802
N-(2,6-diethylphenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 22200333

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-2-(4-formylpiperazin-1-yl)acetamide?
The IUPAC name of N-(2,6-diethylphenyl)-2-(4-formylpiperazin-1-yl)acetamide (CID 108995795) is N-(2,6-diethylphenyl)-2-(4-formylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-2-(4-formylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(2,6-diethylphenyl)-2-(4-formylpiperazin-1-yl)acetamide is CCc1cccc(CC)c1NC(=O)CN1CCN(C=O)CC1.
What is the InChIKey of N-(2,6-diethylphenyl)-2-(4-formylpiperazin-1-yl)acetamide?
The InChIKey is XQMRQQRGHRNRIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-3-14-6-5-7-15(4-2)17(14)18-16(22)12-19-8-10-20(13-21)11-9-19/h5-7,13H,3-4,8-12H2,1-2H3,(H,18,22).
What are the key properties of N-(2,6-diethylphenyl)-2-(4-formylpiperazin-1-yl)acetamide?
N-(2,6-diethylphenyl)-2-(4-formylpiperazin-1-yl)acetamide has a molecular weight of 303.41 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-2-(4-formylpiperazin-1-yl)acetamide is sourced from PubChem (CID 108995795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).