4-oxopiperidine-1-carboximidamide

C6H11N3O — CID 19089226

IUPAC4-oxopiperidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCC(=O)CC1
InChIInChI=1S/C6H11N3O/c7-6(8)9-3-1-5(10)2-4-9/h1-4H2,(H3,7,8)
InChIKeyNECYGEQQRKTZIF-UHFFFAOYSA-N
MW141.17 g/mol
LogP-0.46
Rot. Bonds

About 4-oxopiperidine-1-carboximidamide

4-oxopiperidine-1-carboximidamide (PubChem CID 19089226) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is 4-oxopiperidine-1-carboximidamide.

Molecular Properties

Compound Name4-oxopiperidine-1-carboximidamide
PubChem CID19089226
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC Name4-oxopiperidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCC(=O)CC1
InChIInChI=1S/C6H11N3O/c7-6(8)9-3-1-5(10)2-4-9/h1-4H2,(H3,7,8)
InChIKeyNECYGEQQRKTZIF-UHFFFAOYSA-N
XLogP-0.46
TPSA70.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-oxopiperidine-1-carboximidamide?
The IUPAC name of 4-oxopiperidine-1-carboximidamide (CID 19089226) is 4-oxopiperidine-1-carboximidamide.
What is the SMILES notation for 4-oxopiperidine-1-carboximidamide?
The canonical SMILES for 4-oxopiperidine-1-carboximidamide is [H]/N=C(\N)N1CCC(=O)CC1.
What is the InChIKey of 4-oxopiperidine-1-carboximidamide?
The InChIKey is NECYGEQQRKTZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O/c7-6(8)9-3-1-5(10)2-4-9/h1-4H2,(H3,7,8).
What are the key properties of 4-oxopiperidine-1-carboximidamide?
4-oxopiperidine-1-carboximidamide has a molecular weight of 141.17 g/mol, XLogP of -0.46, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxopiperidine-1-carboximidamide is sourced from PubChem (CID 19089226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).