2-(4-methanidylpiperazin-1-yl)-1-morpholin-4-ylethanone

C11H20N3O2- — CID 20723277

IUPAC2-(4-methanidylpiperazin-1-yl)-1-morpholin-4-ylethanone
SMILES[CH2-]N1CCN(CC(=O)N2CCOCC2)CC1
InChIInChI=1S/C11H20N3O2/c1-12-2-4-13(5-3-12)10-11(15)14-6-8-16-9-7-14/h1-10H2/q-1
InChIKeyHQCDCJOAEVSZSP-UHFFFAOYSA-N
MW226.30 g/mol
LogP-0.75
Rot. Bonds2

About 2-(4-methanidylpiperazin-1-yl)-1-morpholin-4-ylethanone

2-(4-methanidylpiperazin-1-yl)-1-morpholin-4-ylethanone (PubChem CID 20723277) has the molecular formula C11H20N3O2- and a molecular weight of 226.30 g/mol. Its IUPAC name is 2-(4-methanidylpiperazin-1-yl)-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-(4-methanidylpiperazin-1-yl)-1-morpholin-4-ylethanone
PubChem CID20723277
Molecular FormulaC11H20N3O2-
Molecular Weight226.30 g/mol
Exact Mass226.16
IUPAC Name2-(4-methanidylpiperazin-1-yl)-1-morpholin-4-ylethanone
SMILES[CH2-]N1CCN(CC(=O)N2CCOCC2)CC1
InChIInChI=1S/C11H20N3O2/c1-12-2-4-13(5-3-12)10-11(15)14-6-8-16-9-7-14/h1-10H2/q-1
InChIKeyHQCDCJOAEVSZSP-UHFFFAOYSA-N
XLogP-0.75
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 5-0.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methanidylpiperazin-1-yl)-1-morpholin-4-ylethanone?
The IUPAC name of 2-(4-methanidylpiperazin-1-yl)-1-morpholin-4-ylethanone (CID 20723277) is 2-(4-methanidylpiperazin-1-yl)-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-(4-methanidylpiperazin-1-yl)-1-morpholin-4-ylethanone?
The canonical SMILES for 2-(4-methanidylpiperazin-1-yl)-1-morpholin-4-ylethanone is [CH2-]N1CCN(CC(=O)N2CCOCC2)CC1.
What is the InChIKey of 2-(4-methanidylpiperazin-1-yl)-1-morpholin-4-ylethanone?
The InChIKey is HQCDCJOAEVSZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N3O2/c1-12-2-4-13(5-3-12)10-11(15)14-6-8-16-9-7-14/h1-10H2/q-1.
What are the key properties of 2-(4-methanidylpiperazin-1-yl)-1-morpholin-4-ylethanone?
2-(4-methanidylpiperazin-1-yl)-1-morpholin-4-ylethanone has a molecular weight of 226.30 g/mol, XLogP of -0.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methanidylpiperazin-1-yl)-1-morpholin-4-ylethanone is sourced from PubChem (CID 20723277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).