2-(2,5-dimethylpiperazin-1-yl)-N-propan-2-ylacetamide

C11H23N3O — CID 64980506

IUPAC2-(2,5-dimethylpiperazin-1-yl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1CC(C)NCC1C
InChIInChI=1S/C11H23N3O/c1-8(2)13-11(15)7-14-6-9(3)12-5-10(14)4/h8-10,12H,5-7H2,1-4H3,(H,13,15)
InChIKeyXIRAXNWZCZORCL-UHFFFAOYSA-N
MW213.32 g/mol
LogP0.19
Rot. Bonds3

About 2-(2,5-dimethylpiperazin-1-yl)-N-propan-2-ylacetamide

2-(2,5-dimethylpiperazin-1-yl)-N-propan-2-ylacetamide (PubChem CID 64980506) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-(2,5-dimethylpiperazin-1-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(2,5-dimethylpiperazin-1-yl)-N-propan-2-ylacetamide
PubChem CID64980506
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name2-(2,5-dimethylpiperazin-1-yl)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1CC(C)NCC1C
InChIInChI=1S/C11H23N3O/c1-8(2)13-11(15)7-14-6-9(3)12-5-10(14)4/h8-10,12H,5-7H2,1-4H3,(H,13,15)
InChIKeyXIRAXNWZCZORCL-UHFFFAOYSA-N
XLogP0.19
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpiperazin-1-yl)-N-propan-2-ylacetamide?
The IUPAC name of 2-(2,5-dimethylpiperazin-1-yl)-N-propan-2-ylacetamide (CID 64980506) is 2-(2,5-dimethylpiperazin-1-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(2,5-dimethylpiperazin-1-yl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(2,5-dimethylpiperazin-1-yl)-N-propan-2-ylacetamide is CC(C)NC(=O)CN1CC(C)NCC1C.
What is the InChIKey of 2-(2,5-dimethylpiperazin-1-yl)-N-propan-2-ylacetamide?
The InChIKey is XIRAXNWZCZORCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-8(2)13-11(15)7-14-6-9(3)12-5-10(14)4/h8-10,12H,5-7H2,1-4H3,(H,13,15).
What are the key properties of 2-(2,5-dimethylpiperazin-1-yl)-N-propan-2-ylacetamide?
2-(2,5-dimethylpiperazin-1-yl)-N-propan-2-ylacetamide has a molecular weight of 213.32 g/mol, XLogP of 0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylpiperazin-1-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 64980506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).