N,N-dimethyl-2-piperazine-1,4-diium-1-ylacetamide

C8H19N3O+2 — CID 7021517

IUPACN,N-dimethyl-2-piperazine-1,4-diium-1-ylacetamide
SMILESCN(C)C(=O)C[NH+]1CC[NH2+]CC1
InChIInChI=1S/C8H17N3O/c1-10(2)8(12)7-11-5-3-9-4-6-11/h9H,3-7H2,1-2H3/p+2
InChIKeyJJEMPZXXGBIJIX-UHFFFAOYSA-P
MW173.26 g/mol
LogP-3.46
Rot. Bonds2

About N,N-dimethyl-2-piperazine-1,4-diium-1-ylacetamide

N,N-dimethyl-2-piperazine-1,4-diium-1-ylacetamide (PubChem CID 7021517) has the molecular formula C8H19N3O+2 and a molecular weight of 173.26 g/mol. Its IUPAC name is N,N-dimethyl-2-piperazine-1,4-diium-1-ylacetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-piperazine-1,4-diium-1-ylacetamide
PubChem CID7021517
Molecular FormulaC8H19N3O+2
Molecular Weight173.26 g/mol
Exact Mass173.15
IUPAC NameN,N-dimethyl-2-piperazine-1,4-diium-1-ylacetamide
SMILESCN(C)C(=O)C[NH+]1CC[NH2+]CC1
InChIInChI=1S/C8H17N3O/c1-10(2)8(12)7-11-5-3-9-4-6-11/h9H,3-7H2,1-2H3/p+2
InChIKeyJJEMPZXXGBIJIX-UHFFFAOYSA-P
XLogP-3.46
TPSA41.36 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 5-3.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-piperazine-1,4-diium-1-ylacetamide?
The IUPAC name of N,N-dimethyl-2-piperazine-1,4-diium-1-ylacetamide (CID 7021517) is N,N-dimethyl-2-piperazine-1,4-diium-1-ylacetamide.
What is the SMILES notation for N,N-dimethyl-2-piperazine-1,4-diium-1-ylacetamide?
The canonical SMILES for N,N-dimethyl-2-piperazine-1,4-diium-1-ylacetamide is CN(C)C(=O)C[NH+]1CC[NH2+]CC1.
What is the InChIKey of N,N-dimethyl-2-piperazine-1,4-diium-1-ylacetamide?
The InChIKey is JJEMPZXXGBIJIX-UHFFFAOYSA-P. The full InChI is InChI=1S/C8H17N3O/c1-10(2)8(12)7-11-5-3-9-4-6-11/h9H,3-7H2,1-2H3/p+2.
What are the key properties of N,N-dimethyl-2-piperazine-1,4-diium-1-ylacetamide?
N,N-dimethyl-2-piperazine-1,4-diium-1-ylacetamide has a molecular weight of 173.26 g/mol, XLogP of -3.46, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-piperazine-1,4-diium-1-ylacetamide is sourced from PubChem (CID 7021517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).