N-(2,6-dimethylphenyl)-2-piperazin-1-ylacetamide

C14H21N3O — CID 2608606

IUPACN-(2,6-dimethylphenyl)-2-piperazin-1-ylacetamide
SMILESCc1cccc(C)c1NC(=O)CN1CCNCC1
InChIInChI=1S/C14H21N3O/c1-11-4-3-5-12(2)14(11)16-13(18)10-17-8-6-15-7-9-17/h3-5,15H,6-10H2,1-2H3,(H,16,18)
InChIKeyNJKRFQIWDJSYOK-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.15
Rot. Bonds3

About N-(2,6-dimethylphenyl)-2-piperazin-1-ylacetamide

N-(2,6-dimethylphenyl)-2-piperazin-1-ylacetamide (PubChem CID 2608606) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-piperazin-1-ylacetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-piperazin-1-ylacetamide
PubChem CID2608606
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC NameN-(2,6-dimethylphenyl)-2-piperazin-1-ylacetamide
SMILESCc1cccc(C)c1NC(=O)CN1CCNCC1
InChIInChI=1S/C14H21N3O/c1-11-4-3-5-12(2)14(11)16-13(18)10-17-8-6-15-7-9-17/h3-5,15H,6-10H2,1-2H3,(H,16,18)
InChIKeyNJKRFQIWDJSYOK-UHFFFAOYSA-N
XLogP1.15
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-piperazin-1-ylacetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-piperazin-1-ylacetamide (CID 2608606) is N-(2,6-dimethylphenyl)-2-piperazin-1-ylacetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-piperazin-1-ylacetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-piperazin-1-ylacetamide is Cc1cccc(C)c1NC(=O)CN1CCNCC1.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-piperazin-1-ylacetamide?
The InChIKey is NJKRFQIWDJSYOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-11-4-3-5-12(2)14(11)16-13(18)10-17-8-6-15-7-9-17/h3-5,15H,6-10H2,1-2H3,(H,16,18).
What are the key properties of N-(2,6-dimethylphenyl)-2-piperazin-1-ylacetamide?
N-(2,6-dimethylphenyl)-2-piperazin-1-ylacetamide has a molecular weight of 247.34 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-piperazin-1-ylacetamide is sourced from PubChem (CID 2608606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).