N-cyclopropyl-3-(4-hydroxyiminopiperidin-1-yl)propanamide

C11H19N3O2 — CID 62625966

IUPACN-cyclopropyl-3-(4-hydroxyiminopiperidin-1-yl)propanamide
SMILESO=C(CCN1CCC(=NO)CC1)NC1CC1
InChIInChI=1S/C11H19N3O2/c15-11(12-9-1-2-9)5-8-14-6-3-10(13-16)4-7-14/h9,16H,1-8H2,(H,12,15)
InChIKeyVXHZUOARUZGTAX-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.58
Rot. Bonds4

About N-cyclopropyl-3-(4-hydroxyiminopiperidin-1-yl)propanamide

N-cyclopropyl-3-(4-hydroxyiminopiperidin-1-yl)propanamide (PubChem CID 62625966) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is N-cyclopropyl-3-(4-hydroxyiminopiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-(4-hydroxyiminopiperidin-1-yl)propanamide
PubChem CID62625966
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC NameN-cyclopropyl-3-(4-hydroxyiminopiperidin-1-yl)propanamide
SMILESO=C(CCN1CCC(=NO)CC1)NC1CC1
InChIInChI=1S/C11H19N3O2/c15-11(12-9-1-2-9)5-8-14-6-3-10(13-16)4-7-14/h9,16H,1-8H2,(H,12,15)
InChIKeyVXHZUOARUZGTAX-UHFFFAOYSA-N
XLogP0.58
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.58
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 N-cyclopropyl-3-(4-hydroxyiminopiperidin-1-yl)propanamide?
The IUPAC name of N-cyclopropyl-3-(4-hydroxyiminopiperidin-1-yl)propanamide (CID 62625966) is N-cyclopropyl-3-(4-hydroxyiminopiperidin-1-yl)propanamide.
What is the SMILES notation for N-cyclopropyl-3-(4-hydroxyiminopiperidin-1-yl)propanamide?
The canonical SMILES for N-cyclopropyl-3-(4-hydroxyiminopiperidin-1-yl)propanamide is O=C(CCN1CCC(=NO)CC1)NC1CC1.
What is the InChIKey of N-cyclopropyl-3-(4-hydroxyiminopiperidin-1-yl)propanamide?
The InChIKey is VXHZUOARUZGTAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c15-11(12-9-1-2-9)5-8-14-6-3-10(13-16)4-7-14/h9,16H,1-8H2,(H,12,15).
What are the key properties of N-cyclopropyl-3-(4-hydroxyiminopiperidin-1-yl)propanamide?
N-cyclopropyl-3-(4-hydroxyiminopiperidin-1-yl)propanamide has a molecular weight of 225.29 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(4-hydroxyiminopiperidin-1-yl)propanamide is sourced from PubChem (CID 62625966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).