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

C11H21N3O2 — CID 43117212

IUPAC2-(4-hydroxyiminopiperidin-1-yl)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)N1CCC(=NO)CC1
InChIInChI=1S/C11H21N3O2/c1-8(2)12-11(15)9(3)14-6-4-10(13-16)5-7-14/h8-9,16H,4-7H2,1-3H3,(H,12,15)
InChIKeyFCXJMMAMUJDIIY-UHFFFAOYSA-N
MW227.31 g/mol
LogP0.83
Rot. Bonds3

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

2-(4-hydroxyiminopiperidin-1-yl)-N-propan-2-ylpropanamide (PubChem CID 43117212) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-(4-hydroxyiminopiperidin-1-yl)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-(4-hydroxyiminopiperidin-1-yl)-N-propan-2-ylpropanamide
PubChem CID43117212
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name2-(4-hydroxyiminopiperidin-1-yl)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)N1CCC(=NO)CC1
InChIInChI=1S/C11H21N3O2/c1-8(2)12-11(15)9(3)14-6-4-10(13-16)5-7-14/h8-9,16H,4-7H2,1-3H3,(H,12,15)
InChIKeyFCXJMMAMUJDIIY-UHFFFAOYSA-N
XLogP0.83
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 50.83
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-propan-2-ylpropanamide?
The IUPAC name of 2-(4-hydroxyiminopiperidin-1-yl)-N-propan-2-ylpropanamide (CID 43117212) is 2-(4-hydroxyiminopiperidin-1-yl)-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-(4-hydroxyiminopiperidin-1-yl)-N-propan-2-ylpropanamide?
The canonical SMILES for 2-(4-hydroxyiminopiperidin-1-yl)-N-propan-2-ylpropanamide is CC(C)NC(=O)C(C)N1CCC(=NO)CC1.
What is the InChIKey of 2-(4-hydroxyiminopiperidin-1-yl)-N-propan-2-ylpropanamide?
The InChIKey is FCXJMMAMUJDIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-8(2)12-11(15)9(3)14-6-4-10(13-16)5-7-14/h8-9,16H,4-7H2,1-3H3,(H,12,15).
What are the key properties of 2-(4-hydroxyiminopiperidin-1-yl)-N-propan-2-ylpropanamide?
2-(4-hydroxyiminopiperidin-1-yl)-N-propan-2-ylpropanamide has a molecular weight of 227.31 g/mol, XLogP of 0.83, 3 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-propan-2-ylpropanamide is sourced from PubChem (CID 43117212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).