2-(2,2-dimethylpiperazin-1-yl)-N-prop-2-enylacetamide

C11H21N3O — CID 65462771

IUPAC2-(2,2-dimethylpiperazin-1-yl)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN1CCNCC1(C)C
InChIInChI=1S/C11H21N3O/c1-4-5-13-10(15)8-14-7-6-12-9-11(14,2)3/h4,12H,1,5-9H2,2-3H3,(H,13,15)
InChIKeyOMDMABRBSKZAJM-UHFFFAOYSA-N
MW211.31 g/mol
LogP-0.03
Rot. Bonds4

About 2-(2,2-dimethylpiperazin-1-yl)-N-prop-2-enylacetamide

2-(2,2-dimethylpiperazin-1-yl)-N-prop-2-enylacetamide (PubChem CID 65462771) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 2-(2,2-dimethylpiperazin-1-yl)-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-(2,2-dimethylpiperazin-1-yl)-N-prop-2-enylacetamide
PubChem CID65462771
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name2-(2,2-dimethylpiperazin-1-yl)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN1CCNCC1(C)C
InChIInChI=1S/C11H21N3O/c1-4-5-13-10(15)8-14-7-6-12-9-11(14,2)3/h4,12H,1,5-9H2,2-3H3,(H,13,15)
InChIKeyOMDMABRBSKZAJM-UHFFFAOYSA-N
XLogP-0.03
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpiperazin-1-yl)-N-prop-2-enylacetamide?
The IUPAC name of 2-(2,2-dimethylpiperazin-1-yl)-N-prop-2-enylacetamide (CID 65462771) is 2-(2,2-dimethylpiperazin-1-yl)-N-prop-2-enylacetamide.
What is the SMILES notation for 2-(2,2-dimethylpiperazin-1-yl)-N-prop-2-enylacetamide?
The canonical SMILES for 2-(2,2-dimethylpiperazin-1-yl)-N-prop-2-enylacetamide is C=CCNC(=O)CN1CCNCC1(C)C.
What is the InChIKey of 2-(2,2-dimethylpiperazin-1-yl)-N-prop-2-enylacetamide?
The InChIKey is OMDMABRBSKZAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-4-5-13-10(15)8-14-7-6-12-9-11(14,2)3/h4,12H,1,5-9H2,2-3H3,(H,13,15).
What are the key properties of 2-(2,2-dimethylpiperazin-1-yl)-N-prop-2-enylacetamide?
2-(2,2-dimethylpiperazin-1-yl)-N-prop-2-enylacetamide has a molecular weight of 211.31 g/mol, XLogP of -0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpiperazin-1-yl)-N-prop-2-enylacetamide is sourced from PubChem (CID 65462771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).