2-(2,5-dimethylpiperazin-1-yl)-N-prop-2-ynylacetamide

C11H19N3O — CID 64980630

IUPAC2-(2,5-dimethylpiperazin-1-yl)-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)CN1CC(C)NCC1C
InChIInChI=1S/C11H19N3O/c1-4-5-12-11(15)8-14-7-9(2)13-6-10(14)3/h1,9-10,13H,5-8H2,2-3H3,(H,12,15)
InChIKeyLWOHAQZMOJBEJN-UHFFFAOYSA-N
MW209.29 g/mol
LogP-0.58
Rot. Bonds3

About 2-(2,5-dimethylpiperazin-1-yl)-N-prop-2-ynylacetamide

2-(2,5-dimethylpiperazin-1-yl)-N-prop-2-ynylacetamide (PubChem CID 64980630) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-(2,5-dimethylpiperazin-1-yl)-N-prop-2-ynylacetamide.

Molecular Properties

Compound Name2-(2,5-dimethylpiperazin-1-yl)-N-prop-2-ynylacetamide
PubChem CID64980630
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2-(2,5-dimethylpiperazin-1-yl)-N-prop-2-ynylacetamide
SMILESC#CCNC(=O)CN1CC(C)NCC1C
InChIInChI=1S/C11H19N3O/c1-4-5-12-11(15)8-14-7-9(2)13-6-10(14)3/h1,9-10,13H,5-8H2,2-3H3,(H,12,15)
InChIKeyLWOHAQZMOJBEJN-UHFFFAOYSA-N
XLogP-0.58
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpiperazin-1-yl)-N-prop-2-ynylacetamide?
The IUPAC name of 2-(2,5-dimethylpiperazin-1-yl)-N-prop-2-ynylacetamide (CID 64980630) is 2-(2,5-dimethylpiperazin-1-yl)-N-prop-2-ynylacetamide.
What is the SMILES notation for 2-(2,5-dimethylpiperazin-1-yl)-N-prop-2-ynylacetamide?
The canonical SMILES for 2-(2,5-dimethylpiperazin-1-yl)-N-prop-2-ynylacetamide is C#CCNC(=O)CN1CC(C)NCC1C.
What is the InChIKey of 2-(2,5-dimethylpiperazin-1-yl)-N-prop-2-ynylacetamide?
The InChIKey is LWOHAQZMOJBEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-4-5-12-11(15)8-14-7-9(2)13-6-10(14)3/h1,9-10,13H,5-8H2,2-3H3,(H,12,15).
What are the key properties of 2-(2,5-dimethylpiperazin-1-yl)-N-prop-2-ynylacetamide?
2-(2,5-dimethylpiperazin-1-yl)-N-prop-2-ynylacetamide has a molecular weight of 209.29 g/mol, XLogP of -0.58, 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-prop-2-ynylacetamide is sourced from PubChem (CID 64980630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).