2-(4-hydroxyiminopiperidin-1-yl)-N-pentan-2-ylpropanamide

C13H25N3O2 — CID 43117204

IUPAC2-(4-hydroxyiminopiperidin-1-yl)-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)C(C)N1CCC(=NO)CC1
InChIInChI=1S/C13H25N3O2/c1-4-5-10(2)14-13(17)11(3)16-8-6-12(15-18)7-9-16/h10-11,18H,4-9H2,1-3H3,(H,14,17)
InChIKeyPGJZQIFTLOQORS-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.61
Rot. Bonds5

About 2-(4-hydroxyiminopiperidin-1-yl)-N-pentan-2-ylpropanamide

2-(4-hydroxyiminopiperidin-1-yl)-N-pentan-2-ylpropanamide (PubChem CID 43117204) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-(4-hydroxyiminopiperidin-1-yl)-N-pentan-2-ylpropanamide.

Molecular Properties

Compound Name2-(4-hydroxyiminopiperidin-1-yl)-N-pentan-2-ylpropanamide
PubChem CID43117204
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name2-(4-hydroxyiminopiperidin-1-yl)-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)C(C)N1CCC(=NO)CC1
InChIInChI=1S/C13H25N3O2/c1-4-5-10(2)14-13(17)11(3)16-8-6-12(15-18)7-9-16/h10-11,18H,4-9H2,1-3H3,(H,14,17)
InChIKeyPGJZQIFTLOQORS-UHFFFAOYSA-N
XLogP1.61
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyiminopiperidin-1-yl)-N-pentan-2-ylpropanamide?
The IUPAC name of 2-(4-hydroxyiminopiperidin-1-yl)-N-pentan-2-ylpropanamide (CID 43117204) is 2-(4-hydroxyiminopiperidin-1-yl)-N-pentan-2-ylpropanamide.
What is the SMILES notation for 2-(4-hydroxyiminopiperidin-1-yl)-N-pentan-2-ylpropanamide?
The canonical SMILES for 2-(4-hydroxyiminopiperidin-1-yl)-N-pentan-2-ylpropanamide is CCCC(C)NC(=O)C(C)N1CCC(=NO)CC1.
What is the InChIKey of 2-(4-hydroxyiminopiperidin-1-yl)-N-pentan-2-ylpropanamide?
The InChIKey is PGJZQIFTLOQORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-4-5-10(2)14-13(17)11(3)16-8-6-12(15-18)7-9-16/h10-11,18H,4-9H2,1-3H3,(H,14,17).
What are the key properties of 2-(4-hydroxyiminopiperidin-1-yl)-N-pentan-2-ylpropanamide?
2-(4-hydroxyiminopiperidin-1-yl)-N-pentan-2-ylpropanamide has a molecular weight of 255.36 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyiminopiperidin-1-yl)-N-pentan-2-ylpropanamide is sourced from PubChem (CID 43117204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).