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

C14H21N3O3 — CID 77057582

IUPACN'-hydroxy-1-(2,4,5-trimethylfuran-3-carbonyl)piperidine-2-carboximidamide
SMILESCc1oc(C)c(C(=O)N2CCCCC2C(N)=NO)c1C
InChIInChI=1S/C14H21N3O3/c1-8-9(2)20-10(3)12(8)14(18)17-7-5-4-6-11(17)13(15)16-19/h11,19H,4-7H2,1-3H3,(H2,15,16)
InChIKeyDPBUOVANUGKBBY-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.95
Rot. Bonds2

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

N'-hydroxy-1-(2,4,5-trimethylfuran-3-carbonyl)piperidine-2-carboximidamide (PubChem CID 77057582) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is N'-hydroxy-1-(2,4,5-trimethylfuran-3-carbonyl)piperidine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-(2,4,5-trimethylfuran-3-carbonyl)piperidine-2-carboximidamide
PubChem CID77057582
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC NameN'-hydroxy-1-(2,4,5-trimethylfuran-3-carbonyl)piperidine-2-carboximidamide
SMILESCc1oc(C)c(C(=O)N2CCCCC2C(N)=NO)c1C
InChIInChI=1S/C14H21N3O3/c1-8-9(2)20-10(3)12(8)14(18)17-7-5-4-6-11(17)13(15)16-19/h11,19H,4-7H2,1-3H3,(H2,15,16)
InChIKeyDPBUOVANUGKBBY-UHFFFAOYSA-N
XLogP1.95
TPSA92.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.95
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-trimethylfuran-3-carbonyl)piperidine-2-carboximidamide?
The IUPAC name of N'-hydroxy-1-(2,4,5-trimethylfuran-3-carbonyl)piperidine-2-carboximidamide (CID 77057582) is N'-hydroxy-1-(2,4,5-trimethylfuran-3-carbonyl)piperidine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-(2,4,5-trimethylfuran-3-carbonyl)piperidine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-1-(2,4,5-trimethylfuran-3-carbonyl)piperidine-2-carboximidamide is Cc1oc(C)c(C(=O)N2CCCCC2C(N)=NO)c1C.
What is the InChIKey of N'-hydroxy-1-(2,4,5-trimethylfuran-3-carbonyl)piperidine-2-carboximidamide?
The InChIKey is DPBUOVANUGKBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-8-9(2)20-10(3)12(8)14(18)17-7-5-4-6-11(17)13(15)16-19/h11,19H,4-7H2,1-3H3,(H2,15,16).
What are the key properties of N'-hydroxy-1-(2,4,5-trimethylfuran-3-carbonyl)piperidine-2-carboximidamide?
N'-hydroxy-1-(2,4,5-trimethylfuran-3-carbonyl)piperidine-2-carboximidamide has a molecular weight of 279.34 g/mol, XLogP of 1.95, 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-trimethylfuran-3-carbonyl)piperidine-2-carboximidamide is sourced from PubChem (CID 77057582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).