N-(2,3-dimethylpiperazin-1-yl)acetamide

C8H17N3O — CID 141157556

IUPACN-(2,3-dimethylpiperazin-1-yl)acetamide
SMILESCC(=O)NN1CCNC(C)C1C
InChIInChI=1S/C8H17N3O/c1-6-7(2)11(5-4-9-6)10-8(3)12/h6-7,9H,4-5H2,1-3H3,(H,10,12)
InChIKeyCMZVWAKQVDXJHQ-UHFFFAOYSA-N
MW171.24 g/mol
LogP-0.28
Rot. Bonds1

About N-(2,3-dimethylpiperazin-1-yl)acetamide

N-(2,3-dimethylpiperazin-1-yl)acetamide (PubChem CID 141157556) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is N-(2,3-dimethylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylpiperazin-1-yl)acetamide
PubChem CID141157556
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC NameN-(2,3-dimethylpiperazin-1-yl)acetamide
SMILESCC(=O)NN1CCNC(C)C1C
InChIInChI=1S/C8H17N3O/c1-6-7(2)11(5-4-9-6)10-8(3)12/h6-7,9H,4-5H2,1-3H3,(H,10,12)
InChIKeyCMZVWAKQVDXJHQ-UHFFFAOYSA-N
XLogP-0.28
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylpiperazin-1-yl)acetamide?
The IUPAC name of N-(2,3-dimethylpiperazin-1-yl)acetamide (CID 141157556) is N-(2,3-dimethylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(2,3-dimethylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(2,3-dimethylpiperazin-1-yl)acetamide is CC(=O)NN1CCNC(C)C1C.
What is the InChIKey of N-(2,3-dimethylpiperazin-1-yl)acetamide?
The InChIKey is CMZVWAKQVDXJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-6-7(2)11(5-4-9-6)10-8(3)12/h6-7,9H,4-5H2,1-3H3,(H,10,12).
What are the key properties of N-(2,3-dimethylpiperazin-1-yl)acetamide?
N-(2,3-dimethylpiperazin-1-yl)acetamide has a molecular weight of 171.24 g/mol, XLogP of -0.28, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylpiperazin-1-yl)acetamide is sourced from PubChem (CID 141157556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).