2-(2,2-dimethylpiperazin-1-yl)-N-(4-propylphenyl)acetamide

C17H27N3O — CID 65462191

IUPAC2-(2,2-dimethylpiperazin-1-yl)-N-(4-propylphenyl)acetamide
SMILESCCCc1ccc(NC(=O)CN2CCNCC2(C)C)cc1
InChIInChI=1S/C17H27N3O/c1-4-5-14-6-8-15(9-7-14)19-16(21)12-20-11-10-18-13-17(20,2)3/h6-9,18H,4-5,10-13H2,1-3H3,(H,19,21)
InChIKeyZJNKZNMFCAWYEM-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.26
Rot. Bonds5

About 2-(2,2-dimethylpiperazin-1-yl)-N-(4-propylphenyl)acetamide

2-(2,2-dimethylpiperazin-1-yl)-N-(4-propylphenyl)acetamide (PubChem CID 65462191) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-(2,2-dimethylpiperazin-1-yl)-N-(4-propylphenyl)acetamide.

Molecular Properties

Compound Name2-(2,2-dimethylpiperazin-1-yl)-N-(4-propylphenyl)acetamide
PubChem CID65462191
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-(2,2-dimethylpiperazin-1-yl)-N-(4-propylphenyl)acetamide
SMILESCCCc1ccc(NC(=O)CN2CCNCC2(C)C)cc1
InChIInChI=1S/C17H27N3O/c1-4-5-14-6-8-15(9-7-14)19-16(21)12-20-11-10-18-13-17(20,2)3/h6-9,18H,4-5,10-13H2,1-3H3,(H,19,21)
InChIKeyZJNKZNMFCAWYEM-UHFFFAOYSA-N
XLogP2.26
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpiperazin-1-yl)-N-(4-propylphenyl)acetamide?
The IUPAC name of 2-(2,2-dimethylpiperazin-1-yl)-N-(4-propylphenyl)acetamide (CID 65462191) is 2-(2,2-dimethylpiperazin-1-yl)-N-(4-propylphenyl)acetamide.
What is the SMILES notation for 2-(2,2-dimethylpiperazin-1-yl)-N-(4-propylphenyl)acetamide?
The canonical SMILES for 2-(2,2-dimethylpiperazin-1-yl)-N-(4-propylphenyl)acetamide is CCCc1ccc(NC(=O)CN2CCNCC2(C)C)cc1.
What is the InChIKey of 2-(2,2-dimethylpiperazin-1-yl)-N-(4-propylphenyl)acetamide?
The InChIKey is ZJNKZNMFCAWYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-4-5-14-6-8-15(9-7-14)19-16(21)12-20-11-10-18-13-17(20,2)3/h6-9,18H,4-5,10-13H2,1-3H3,(H,19,21).
What are the key properties of 2-(2,2-dimethylpiperazin-1-yl)-N-(4-propylphenyl)acetamide?
2-(2,2-dimethylpiperazin-1-yl)-N-(4-propylphenyl)acetamide has a molecular weight of 289.42 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpiperazin-1-yl)-N-(4-propylphenyl)acetamide is sourced from PubChem (CID 65462191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).