N'-hydroxy-1-(2,4,5-trimethyloxolane-3-carbonyl)piperidine-4-carboximidamide

C14H25N3O3 — CID 77057802

IUPACN'-hydroxy-1-(2,4,5-trimethyloxolane-3-carbonyl)piperidine-4-carboximidamide
SMILESCC1OC(C)C(C(=O)N2CCC(C(N)=NO)CC2)C1C
InChIInChI=1S/C14H25N3O3/c1-8-9(2)20-10(3)12(8)14(18)17-6-4-11(5-7-17)13(15)16-19/h8-12,19H,4-7H2,1-3H3,(H2,15,16)
InChIKeyDZTGOVGPYVMSGP-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.03
Rot. Bonds2

About N'-hydroxy-1-(2,4,5-trimethyloxolane-3-carbonyl)piperidine-4-carboximidamide

N'-hydroxy-1-(2,4,5-trimethyloxolane-3-carbonyl)piperidine-4-carboximidamide (PubChem CID 77057802) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is N'-hydroxy-1-(2,4,5-trimethyloxolane-3-carbonyl)piperidine-4-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-(2,4,5-trimethyloxolane-3-carbonyl)piperidine-4-carboximidamide
PubChem CID77057802
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC NameN'-hydroxy-1-(2,4,5-trimethyloxolane-3-carbonyl)piperidine-4-carboximidamide
SMILESCC1OC(C)C(C(=O)N2CCC(C(N)=NO)CC2)C1C
InChIInChI=1S/C14H25N3O3/c1-8-9(2)20-10(3)12(8)14(18)17-6-4-11(5-7-17)13(15)16-19/h8-12,19H,4-7H2,1-3H3,(H2,15,16)
InChIKeyDZTGOVGPYVMSGP-UHFFFAOYSA-N
XLogP1.03
TPSA88.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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'-hydroxy-1-(2,4,5-trimethyloxolane-3-carbonyl)piperidine-4-carboximidamide?
The IUPAC name of N'-hydroxy-1-(2,4,5-trimethyloxolane-3-carbonyl)piperidine-4-carboximidamide (CID 77057802) is N'-hydroxy-1-(2,4,5-trimethyloxolane-3-carbonyl)piperidine-4-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-(2,4,5-trimethyloxolane-3-carbonyl)piperidine-4-carboximidamide?
The canonical SMILES for N'-hydroxy-1-(2,4,5-trimethyloxolane-3-carbonyl)piperidine-4-carboximidamide is CC1OC(C)C(C(=O)N2CCC(C(N)=NO)CC2)C1C.
What is the InChIKey of N'-hydroxy-1-(2,4,5-trimethyloxolane-3-carbonyl)piperidine-4-carboximidamide?
The InChIKey is DZTGOVGPYVMSGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-8-9(2)20-10(3)12(8)14(18)17-6-4-11(5-7-17)13(15)16-19/h8-12,19H,4-7H2,1-3H3,(H2,15,16).
What are the key properties of N'-hydroxy-1-(2,4,5-trimethyloxolane-3-carbonyl)piperidine-4-carboximidamide?
N'-hydroxy-1-(2,4,5-trimethyloxolane-3-carbonyl)piperidine-4-carboximidamide has a molecular weight of 283.37 g/mol, XLogP of 1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1-(2,4,5-trimethyloxolane-3-carbonyl)piperidine-4-carboximidamide is sourced from PubChem (CID 77057802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).