4-(7-oxo-2,6-diazabicyclo[3.2.0]heptane-2-carbonyl)piperazine-1-carbaldehyde

C11H16N4O3 — CID 143813330

IUPAC4-(7-oxo-2,6-diazabicyclo[3.2.0]heptane-2-carbonyl)piperazine-1-carbaldehyde
SMILESO=CN1CCN(C(=O)N2CCC3NC(=O)C32)CC1
InChIInChI=1S/C11H16N4O3/c16-7-13-3-5-14(6-4-13)11(18)15-2-1-8-9(15)10(17)12-8/h7-9H,1-6H2,(H,12,17)
InChIKeyRKVXCQFYPWUQCO-UHFFFAOYSA-N
MW252.27 g/mol
LogP-1.55
Rot. Bonds1

About 4-(7-oxo-2,6-diazabicyclo[3.2.0]heptane-2-carbonyl)piperazine-1-carbaldehyde

4-(7-oxo-2,6-diazabicyclo[3.2.0]heptane-2-carbonyl)piperazine-1-carbaldehyde (PubChem CID 143813330) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 4-(7-oxo-2,6-diazabicyclo[3.2.0]heptane-2-carbonyl)piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-(7-oxo-2,6-diazabicyclo[3.2.0]heptane-2-carbonyl)piperazine-1-carbaldehyde
PubChem CID143813330
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name4-(7-oxo-2,6-diazabicyclo[3.2.0]heptane-2-carbonyl)piperazine-1-carbaldehyde
SMILESO=CN1CCN(C(=O)N2CCC3NC(=O)C32)CC1
InChIInChI=1S/C11H16N4O3/c16-7-13-3-5-14(6-4-13)11(18)15-2-1-8-9(15)10(17)12-8/h7-9H,1-6H2,(H,12,17)
InChIKeyRKVXCQFYPWUQCO-UHFFFAOYSA-N
XLogP-1.55
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 5-1.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(7-oxo-2,6-diazabicyclo[3.2.0]heptane-2-carbonyl)piperazine-1-carbaldehyde?
The IUPAC name of 4-(7-oxo-2,6-diazabicyclo[3.2.0]heptane-2-carbonyl)piperazine-1-carbaldehyde (CID 143813330) is 4-(7-oxo-2,6-diazabicyclo[3.2.0]heptane-2-carbonyl)piperazine-1-carbaldehyde.
What is the SMILES notation for 4-(7-oxo-2,6-diazabicyclo[3.2.0]heptane-2-carbonyl)piperazine-1-carbaldehyde?
The canonical SMILES for 4-(7-oxo-2,6-diazabicyclo[3.2.0]heptane-2-carbonyl)piperazine-1-carbaldehyde is O=CN1CCN(C(=O)N2CCC3NC(=O)C32)CC1.
What is the InChIKey of 4-(7-oxo-2,6-diazabicyclo[3.2.0]heptane-2-carbonyl)piperazine-1-carbaldehyde?
The InChIKey is RKVXCQFYPWUQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c16-7-13-3-5-14(6-4-13)11(18)15-2-1-8-9(15)10(17)12-8/h7-9H,1-6H2,(H,12,17).
What are the key properties of 4-(7-oxo-2,6-diazabicyclo[3.2.0]heptane-2-carbonyl)piperazine-1-carbaldehyde?
4-(7-oxo-2,6-diazabicyclo[3.2.0]heptane-2-carbonyl)piperazine-1-carbaldehyde has a molecular weight of 252.27 g/mol, XLogP of -1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-oxo-2,6-diazabicyclo[3.2.0]heptane-2-carbonyl)piperazine-1-carbaldehyde is sourced from PubChem (CID 143813330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).