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

C14H25N3O2 — CID 43117200

IUPACN-cyclohexyl-2-(4-hydroxyiminopiperidin-1-yl)propanamide
SMILESCC(C(=O)NC1CCCCC1)N1CCC(=NO)CC1
InChIInChI=1S/C14H25N3O2/c1-11(17-9-7-13(16-19)8-10-17)14(18)15-12-5-3-2-4-6-12/h11-12,19H,2-10H2,1H3,(H,15,18)
InChIKeyHNTRWIJLMDDXDI-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.75
Rot. Bonds3

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

N-cyclohexyl-2-(4-hydroxyiminopiperidin-1-yl)propanamide (PubChem CID 43117200) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is N-cyclohexyl-2-(4-hydroxyiminopiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(4-hydroxyiminopiperidin-1-yl)propanamide
PubChem CID43117200
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC NameN-cyclohexyl-2-(4-hydroxyiminopiperidin-1-yl)propanamide
SMILESCC(C(=O)NC1CCCCC1)N1CCC(=NO)CC1
InChIInChI=1S/C14H25N3O2/c1-11(17-9-7-13(16-19)8-10-17)14(18)15-12-5-3-2-4-6-12/h11-12,19H,2-10H2,1H3,(H,15,18)
InChIKeyHNTRWIJLMDDXDI-UHFFFAOYSA-N
XLogP1.75
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.75
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-cyclohexyl-2-(4-hydroxyiminopiperidin-1-yl)propanamide?
The IUPAC name of N-cyclohexyl-2-(4-hydroxyiminopiperidin-1-yl)propanamide (CID 43117200) is N-cyclohexyl-2-(4-hydroxyiminopiperidin-1-yl)propanamide.
What is the SMILES notation for N-cyclohexyl-2-(4-hydroxyiminopiperidin-1-yl)propanamide?
The canonical SMILES for N-cyclohexyl-2-(4-hydroxyiminopiperidin-1-yl)propanamide is CC(C(=O)NC1CCCCC1)N1CCC(=NO)CC1.
What is the InChIKey of N-cyclohexyl-2-(4-hydroxyiminopiperidin-1-yl)propanamide?
The InChIKey is HNTRWIJLMDDXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-11(17-9-7-13(16-19)8-10-17)14(18)15-12-5-3-2-4-6-12/h11-12,19H,2-10H2,1H3,(H,15,18).
What are the key properties of N-cyclohexyl-2-(4-hydroxyiminopiperidin-1-yl)propanamide?
N-cyclohexyl-2-(4-hydroxyiminopiperidin-1-yl)propanamide has a molecular weight of 267.37 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(4-hydroxyiminopiperidin-1-yl)propanamide is sourced from PubChem (CID 43117200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).