2-(2,2-dimethylpiperazin-1-yl)-N-methyl-N-phenylacetamide

C15H23N3O — CID 65460575

IUPAC2-(2,2-dimethylpiperazin-1-yl)-N-methyl-N-phenylacetamide
SMILESCN(C(=O)CN1CCNCC1(C)C)c1ccccc1
InChIInChI=1S/C15H23N3O/c1-15(2)12-16-9-10-18(15)11-14(19)17(3)13-7-5-4-6-8-13/h4-8,16H,9-12H2,1-3H3
InChIKeyBTULHHPYYCVEQY-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.33
Rot. Bonds3

About 2-(2,2-dimethylpiperazin-1-yl)-N-methyl-N-phenylacetamide

2-(2,2-dimethylpiperazin-1-yl)-N-methyl-N-phenylacetamide (PubChem CID 65460575) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-(2,2-dimethylpiperazin-1-yl)-N-methyl-N-phenylacetamide.

Molecular Properties

Compound Name2-(2,2-dimethylpiperazin-1-yl)-N-methyl-N-phenylacetamide
PubChem CID65460575
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-(2,2-dimethylpiperazin-1-yl)-N-methyl-N-phenylacetamide
SMILESCN(C(=O)CN1CCNCC1(C)C)c1ccccc1
InChIInChI=1S/C15H23N3O/c1-15(2)12-16-9-10-18(15)11-14(19)17(3)13-7-5-4-6-8-13/h4-8,16H,9-12H2,1-3H3
InChIKeyBTULHHPYYCVEQY-UHFFFAOYSA-N
XLogP1.33
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpiperazin-1-yl)-N-methyl-N-phenylacetamide?
The IUPAC name of 2-(2,2-dimethylpiperazin-1-yl)-N-methyl-N-phenylacetamide (CID 65460575) is 2-(2,2-dimethylpiperazin-1-yl)-N-methyl-N-phenylacetamide.
What is the SMILES notation for 2-(2,2-dimethylpiperazin-1-yl)-N-methyl-N-phenylacetamide?
The canonical SMILES for 2-(2,2-dimethylpiperazin-1-yl)-N-methyl-N-phenylacetamide is CN(C(=O)CN1CCNCC1(C)C)c1ccccc1.
What is the InChIKey of 2-(2,2-dimethylpiperazin-1-yl)-N-methyl-N-phenylacetamide?
The InChIKey is BTULHHPYYCVEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-15(2)12-16-9-10-18(15)11-14(19)17(3)13-7-5-4-6-8-13/h4-8,16H,9-12H2,1-3H3.
What are the key properties of 2-(2,2-dimethylpiperazin-1-yl)-N-methyl-N-phenylacetamide?
2-(2,2-dimethylpiperazin-1-yl)-N-methyl-N-phenylacetamide has a molecular weight of 261.37 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpiperazin-1-yl)-N-methyl-N-phenylacetamide is sourced from PubChem (CID 65460575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).