2-(3-ethyl-4-hydroxyiminopiperidin-1-yl)-N-(2-methylbutan-2-yl)propanamide

C15H29N3O2 — CID 104931498

IUPAC2-(3-ethyl-4-hydroxyiminopiperidin-1-yl)-N-(2-methylbutan-2-yl)propanamide
SMILESCCC1CN(C(C)C(=O)NC(C)(C)CC)CCC1=NO
InChIInChI=1S/C15H29N3O2/c1-6-12-10-18(9-8-13(12)17-20)11(3)14(19)16-15(4,5)7-2/h11-12,20H,6-10H2,1-5H3,(H,16,19)
InChIKeyRMSVHODEVJLSLS-UHFFFAOYSA-N
MW283.42 g/mol
LogP2.24
Rot. Bonds5

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

2-(3-ethyl-4-hydroxyiminopiperidin-1-yl)-N-(2-methylbutan-2-yl)propanamide (PubChem CID 104931498) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 2-(3-ethyl-4-hydroxyiminopiperidin-1-yl)-N-(2-methylbutan-2-yl)propanamide.

Molecular Properties

Compound Name2-(3-ethyl-4-hydroxyiminopiperidin-1-yl)-N-(2-methylbutan-2-yl)propanamide
PubChem CID104931498
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name2-(3-ethyl-4-hydroxyiminopiperidin-1-yl)-N-(2-methylbutan-2-yl)propanamide
SMILESCCC1CN(C(C)C(=O)NC(C)(C)CC)CCC1=NO
InChIInChI=1S/C15H29N3O2/c1-6-12-10-18(9-8-13(12)17-20)11(3)14(19)16-15(4,5)7-2/h11-12,20H,6-10H2,1-5H3,(H,16,19)
InChIKeyRMSVHODEVJLSLS-UHFFFAOYSA-N
XLogP2.24
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 52.24
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-(3-ethyl-4-hydroxyiminopiperidin-1-yl)-N-(2-methylbutan-2-yl)propanamide?
The IUPAC name of 2-(3-ethyl-4-hydroxyiminopiperidin-1-yl)-N-(2-methylbutan-2-yl)propanamide (CID 104931498) is 2-(3-ethyl-4-hydroxyiminopiperidin-1-yl)-N-(2-methylbutan-2-yl)propanamide.
What is the SMILES notation for 2-(3-ethyl-4-hydroxyiminopiperidin-1-yl)-N-(2-methylbutan-2-yl)propanamide?
The canonical SMILES for 2-(3-ethyl-4-hydroxyiminopiperidin-1-yl)-N-(2-methylbutan-2-yl)propanamide is CCC1CN(C(C)C(=O)NC(C)(C)CC)CCC1=NO.
What is the InChIKey of 2-(3-ethyl-4-hydroxyiminopiperidin-1-yl)-N-(2-methylbutan-2-yl)propanamide?
The InChIKey is RMSVHODEVJLSLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-6-12-10-18(9-8-13(12)17-20)11(3)14(19)16-15(4,5)7-2/h11-12,20H,6-10H2,1-5H3,(H,16,19).
What are the key properties of 2-(3-ethyl-4-hydroxyiminopiperidin-1-yl)-N-(2-methylbutan-2-yl)propanamide?
2-(3-ethyl-4-hydroxyiminopiperidin-1-yl)-N-(2-methylbutan-2-yl)propanamide has a molecular weight of 283.42 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-4-hydroxyiminopiperidin-1-yl)-N-(2-methylbutan-2-yl)propanamide is sourced from PubChem (CID 104931498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).