2-(4-methylpiperazin-1-yl)-N-prop-2-enylpropanamide

C11H21N3O — CID 3229462

IUPAC2-(4-methylpiperazin-1-yl)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)N1CCN(C)CC1
InChIInChI=1S/C11H21N3O/c1-4-5-12-11(15)10(2)14-8-6-13(3)7-9-14/h4,10H,1,5-9H2,2-3H3,(H,12,15)
InChIKeyOOCYOKWXMXMURP-UHFFFAOYSA-N
MW211.31 g/mol
LogP-0.08
Rot. Bonds4

About 2-(4-methylpiperazin-1-yl)-N-prop-2-enylpropanamide

2-(4-methylpiperazin-1-yl)-N-prop-2-enylpropanamide (PubChem CID 3229462) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-N-prop-2-enylpropanamide
PubChem CID3229462
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name2-(4-methylpiperazin-1-yl)-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)N1CCN(C)CC1
InChIInChI=1S/C11H21N3O/c1-4-5-12-11(15)10(2)14-8-6-13(3)7-9-14/h4,10H,1,5-9H2,2-3H3,(H,12,15)
InChIKeyOOCYOKWXMXMURP-UHFFFAOYSA-N
XLogP-0.08
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
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-(4-methylpiperazin-1-yl)-N-prop-2-enylpropanamide?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-N-prop-2-enylpropanamide (CID 3229462) is 2-(4-methylpiperazin-1-yl)-N-prop-2-enylpropanamide.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-N-prop-2-enylpropanamide?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-N-prop-2-enylpropanamide is C=CCNC(=O)C(C)N1CCN(C)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-N-prop-2-enylpropanamide?
The InChIKey is OOCYOKWXMXMURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-4-5-12-11(15)10(2)14-8-6-13(3)7-9-14/h4,10H,1,5-9H2,2-3H3,(H,12,15).
What are the key properties of 2-(4-methylpiperazin-1-yl)-N-prop-2-enylpropanamide?
2-(4-methylpiperazin-1-yl)-N-prop-2-enylpropanamide has a molecular weight of 211.31 g/mol, XLogP of -0.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-N-prop-2-enylpropanamide is sourced from PubChem (CID 3229462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).