2-(1-ethyl-4-prop-2-enoylpiperazin-1-ium-1-yl)acetamide chloride

C11H20ClN3O2 — CID 18793263

IUPAC2-(1-ethyl-4-prop-2-enoylpiperazin-1-ium-1-yl)acetamide chloride
SMILESC=CC(=O)N1CC[N+](CC)(CC(N)=O)CC1.[Cl-]
InChIInChI=1S/C11H19N3O2.ClH/c1-3-11(16)13-5-7-14(4-2,8-6-13)9-10(12)15;/h3H,1,4-9H2,2H3,(H-,12,15);1H
InChIKeyLISDGAODXDDCJV-UHFFFAOYSA-N
MW261.75 g/mol
LogP-3.66
Rot. Bonds4

About 2-(1-ethyl-4-prop-2-enoylpiperazin-1-ium-1-yl)acetamide chloride

2-(1-ethyl-4-prop-2-enoylpiperazin-1-ium-1-yl)acetamide chloride (PubChem CID 18793263) has the molecular formula C11H20ClN3O2 and a molecular weight of 261.75 g/mol. Its IUPAC name is 2-(1-ethyl-4-prop-2-enoylpiperazin-1-ium-1-yl)acetamide chloride.

Molecular Properties

Compound Name2-(1-ethyl-4-prop-2-enoylpiperazin-1-ium-1-yl)acetamide chloride
PubChem CID18793263
Molecular FormulaC11H20ClN3O2
Molecular Weight261.75 g/mol
Exact Mass261.12
IUPAC Name2-(1-ethyl-4-prop-2-enoylpiperazin-1-ium-1-yl)acetamide chloride
SMILESC=CC(=O)N1CC[N+](CC)(CC(N)=O)CC1.[Cl-]
InChIInChI=1S/C11H19N3O2.ClH/c1-3-11(16)13-5-7-14(4-2,8-6-13)9-10(12)15;/h3H,1,4-9H2,2H3,(H-,12,15);1H
InChIKeyLISDGAODXDDCJV-UHFFFAOYSA-N
XLogP-3.66
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 5-3.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-4-prop-2-enoylpiperazin-1-ium-1-yl)acetamide chloride?
The IUPAC name of 2-(1-ethyl-4-prop-2-enoylpiperazin-1-ium-1-yl)acetamide chloride (CID 18793263) is 2-(1-ethyl-4-prop-2-enoylpiperazin-1-ium-1-yl)acetamide chloride.
What is the SMILES notation for 2-(1-ethyl-4-prop-2-enoylpiperazin-1-ium-1-yl)acetamide chloride?
The canonical SMILES for 2-(1-ethyl-4-prop-2-enoylpiperazin-1-ium-1-yl)acetamide chloride is C=CC(=O)N1CC[N+](CC)(CC(N)=O)CC1.[Cl-].
What is the InChIKey of 2-(1-ethyl-4-prop-2-enoylpiperazin-1-ium-1-yl)acetamide chloride?
The InChIKey is LISDGAODXDDCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2.ClH/c1-3-11(16)13-5-7-14(4-2,8-6-13)9-10(12)15;/h3H,1,4-9H2,2H3,(H-,12,15);1H.
What are the key properties of 2-(1-ethyl-4-prop-2-enoylpiperazin-1-ium-1-yl)acetamide chloride?
2-(1-ethyl-4-prop-2-enoylpiperazin-1-ium-1-yl)acetamide chloride has a molecular weight of 261.75 g/mol, XLogP of -3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyl-4-prop-2-enoylpiperazin-1-ium-1-yl)acetamide chloride is sourced from PubChem (CID 18793263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).