2-(4-hydroxyiminopiperidin-1-yl)-N-(3-methylbutyl)propanamide

C13H25N3O2 — CID 43117206

IUPAC2-(4-hydroxyiminopiperidin-1-yl)-N-(3-methylbutyl)propanamide
SMILESCC(C)CCNC(=O)C(C)N1CCC(=NO)CC1
InChIInChI=1S/C13H25N3O2/c1-10(2)4-7-14-13(17)11(3)16-8-5-12(15-18)6-9-16/h10-11,18H,4-9H2,1-3H3,(H,14,17)
InChIKeyMBFTVYKUTBXMKD-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.46
Rot. Bonds5

About 2-(4-hydroxyiminopiperidin-1-yl)-N-(3-methylbutyl)propanamide

2-(4-hydroxyiminopiperidin-1-yl)-N-(3-methylbutyl)propanamide (PubChem CID 43117206) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-(4-hydroxyiminopiperidin-1-yl)-N-(3-methylbutyl)propanamide.

Molecular Properties

Compound Name2-(4-hydroxyiminopiperidin-1-yl)-N-(3-methylbutyl)propanamide
PubChem CID43117206
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name2-(4-hydroxyiminopiperidin-1-yl)-N-(3-methylbutyl)propanamide
SMILESCC(C)CCNC(=O)C(C)N1CCC(=NO)CC1
InChIInChI=1S/C13H25N3O2/c1-10(2)4-7-14-13(17)11(3)16-8-5-12(15-18)6-9-16/h10-11,18H,4-9H2,1-3H3,(H,14,17)
InChIKeyMBFTVYKUTBXMKD-UHFFFAOYSA-N
XLogP1.46
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 ≤ 51.46
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-(3-methylbutyl)propanamide?
The IUPAC name of 2-(4-hydroxyiminopiperidin-1-yl)-N-(3-methylbutyl)propanamide (CID 43117206) is 2-(4-hydroxyiminopiperidin-1-yl)-N-(3-methylbutyl)propanamide.
What is the SMILES notation for 2-(4-hydroxyiminopiperidin-1-yl)-N-(3-methylbutyl)propanamide?
The canonical SMILES for 2-(4-hydroxyiminopiperidin-1-yl)-N-(3-methylbutyl)propanamide is CC(C)CCNC(=O)C(C)N1CCC(=NO)CC1.
What is the InChIKey of 2-(4-hydroxyiminopiperidin-1-yl)-N-(3-methylbutyl)propanamide?
The InChIKey is MBFTVYKUTBXMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-10(2)4-7-14-13(17)11(3)16-8-5-12(15-18)6-9-16/h10-11,18H,4-9H2,1-3H3,(H,14,17).
What are the key properties of 2-(4-hydroxyiminopiperidin-1-yl)-N-(3-methylbutyl)propanamide?
2-(4-hydroxyiminopiperidin-1-yl)-N-(3-methylbutyl)propanamide has a molecular weight of 255.36 g/mol, XLogP of 1.46, 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-(3-methylbutyl)propanamide is sourced from PubChem (CID 43117206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).