N-butyl-2-(4-hydroxyiminopiperidin-1-yl)propanamide

C12H23N3O2 — CID 43117213

IUPACN-butyl-2-(4-hydroxyiminopiperidin-1-yl)propanamide
SMILESCCCCNC(=O)C(C)N1CCC(=NO)CC1
InChIInChI=1S/C12H23N3O2/c1-3-4-7-13-12(16)10(2)15-8-5-11(14-17)6-9-15/h10,17H,3-9H2,1-2H3,(H,13,16)
InChIKeyBCYDJAAMZCLFLM-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.22
Rot. Bonds5

About N-butyl-2-(4-hydroxyiminopiperidin-1-yl)propanamide

N-butyl-2-(4-hydroxyiminopiperidin-1-yl)propanamide (PubChem CID 43117213) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is N-butyl-2-(4-hydroxyiminopiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-butyl-2-(4-hydroxyiminopiperidin-1-yl)propanamide
PubChem CID43117213
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC NameN-butyl-2-(4-hydroxyiminopiperidin-1-yl)propanamide
SMILESCCCCNC(=O)C(C)N1CCC(=NO)CC1
InChIInChI=1S/C12H23N3O2/c1-3-4-7-13-12(16)10(2)15-8-5-11(14-17)6-9-15/h10,17H,3-9H2,1-2H3,(H,13,16)
InChIKeyBCYDJAAMZCLFLM-UHFFFAOYSA-N
XLogP1.22
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 N-butyl-2-(4-hydroxyiminopiperidin-1-yl)propanamide?
The IUPAC name of N-butyl-2-(4-hydroxyiminopiperidin-1-yl)propanamide (CID 43117213) is N-butyl-2-(4-hydroxyiminopiperidin-1-yl)propanamide.
What is the SMILES notation for N-butyl-2-(4-hydroxyiminopiperidin-1-yl)propanamide?
The canonical SMILES for N-butyl-2-(4-hydroxyiminopiperidin-1-yl)propanamide is CCCCNC(=O)C(C)N1CCC(=NO)CC1.
What is the InChIKey of N-butyl-2-(4-hydroxyiminopiperidin-1-yl)propanamide?
The InChIKey is BCYDJAAMZCLFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-3-4-7-13-12(16)10(2)15-8-5-11(14-17)6-9-15/h10,17H,3-9H2,1-2H3,(H,13,16).
What are the key properties of N-butyl-2-(4-hydroxyiminopiperidin-1-yl)propanamide?
N-butyl-2-(4-hydroxyiminopiperidin-1-yl)propanamide has a molecular weight of 241.33 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(4-hydroxyiminopiperidin-1-yl)propanamide is sourced from PubChem (CID 43117213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).