1-acetylpiperidine-4-carboximidamide

C8H15N3O — CID 71432920

IUPAC1-acetylpiperidine-4-carboximidamide
SMILES[H]/N=C(\N)C1CCN(C(C)=O)CC1
InChIInChI=1S/C8H15N3O/c1-6(12)11-4-2-7(3-5-11)8(9)10/h7H,2-5H2,1H3,(H3,9,10)
InChIKeyJJMRXVXSRQAIFX-UHFFFAOYSA-N
MW169.23 g/mol
LogP0.18
Rot. Bonds1

About 1-acetylpiperidine-4-carboximidamide

1-acetylpiperidine-4-carboximidamide (PubChem CID 71432920) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 1-acetylpiperidine-4-carboximidamide.

Molecular Properties

Compound Name1-acetylpiperidine-4-carboximidamide
PubChem CID71432920
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name1-acetylpiperidine-4-carboximidamide
SMILES[H]/N=C(\N)C1CCN(C(C)=O)CC1
InChIInChI=1S/C8H15N3O/c1-6(12)11-4-2-7(3-5-11)8(9)10/h7H,2-5H2,1H3,(H3,9,10)
InChIKeyJJMRXVXSRQAIFX-UHFFFAOYSA-N
XLogP0.18
TPSA70.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.18
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 1-acetylpiperidine-4-carboximidamide?
The IUPAC name of 1-acetylpiperidine-4-carboximidamide (CID 71432920) is 1-acetylpiperidine-4-carboximidamide.
What is the SMILES notation for 1-acetylpiperidine-4-carboximidamide?
The canonical SMILES for 1-acetylpiperidine-4-carboximidamide is [H]/N=C(\N)C1CCN(C(C)=O)CC1.
What is the InChIKey of 1-acetylpiperidine-4-carboximidamide?
The InChIKey is JJMRXVXSRQAIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-6(12)11-4-2-7(3-5-11)8(9)10/h7H,2-5H2,1H3,(H3,9,10).
What are the key properties of 1-acetylpiperidine-4-carboximidamide?
1-acetylpiperidine-4-carboximidamide has a molecular weight of 169.23 g/mol, XLogP of 0.18, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetylpiperidine-4-carboximidamide is sourced from PubChem (CID 71432920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).