N-oxaldehydoylpiperazine-1-carboxamide

C7H11N3O3 — CID 87354543

IUPACN-oxaldehydoylpiperazine-1-carboxamide
SMILESO=CC(=O)NC(=O)N1CCNCC1
InChIInChI=1S/C7H11N3O3/c11-5-6(12)9-7(13)10-3-1-8-2-4-10/h5,8H,1-4H2,(H,9,12,13)
InChIKeyWHQNRYPLLRYKQM-UHFFFAOYSA-N
MW185.18 g/mol
LogP-1.67
Rot. Bonds1

About N-oxaldehydoylpiperazine-1-carboxamide

N-oxaldehydoylpiperazine-1-carboxamide (PubChem CID 87354543) has the molecular formula C7H11N3O3 and a molecular weight of 185.18 g/mol. Its IUPAC name is N-oxaldehydoylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-oxaldehydoylpiperazine-1-carboxamide
PubChem CID87354543
Molecular FormulaC7H11N3O3
Molecular Weight185.18 g/mol
Exact Mass185.08
IUPAC NameN-oxaldehydoylpiperazine-1-carboxamide
SMILESO=CC(=O)NC(=O)N1CCNCC1
InChIInChI=1S/C7H11N3O3/c11-5-6(12)9-7(13)10-3-1-8-2-4-10/h5,8H,1-4H2,(H,9,12,13)
InChIKeyWHQNRYPLLRYKQM-UHFFFAOYSA-N
XLogP-1.67
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 5-1.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-oxaldehydoylpiperazine-1-carboxamide?
The IUPAC name of N-oxaldehydoylpiperazine-1-carboxamide (CID 87354543) is N-oxaldehydoylpiperazine-1-carboxamide.
What is the SMILES notation for N-oxaldehydoylpiperazine-1-carboxamide?
The canonical SMILES for N-oxaldehydoylpiperazine-1-carboxamide is O=CC(=O)NC(=O)N1CCNCC1.
What is the InChIKey of N-oxaldehydoylpiperazine-1-carboxamide?
The InChIKey is WHQNRYPLLRYKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O3/c11-5-6(12)9-7(13)10-3-1-8-2-4-10/h5,8H,1-4H2,(H,9,12,13).
What are the key properties of N-oxaldehydoylpiperazine-1-carboxamide?
N-oxaldehydoylpiperazine-1-carboxamide has a molecular weight of 185.18 g/mol, XLogP of -1.67, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-oxaldehydoylpiperazine-1-carboxamide is sourced from PubChem (CID 87354543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).