N'-acetyl-3,4-dihydroxypiperidine-1-carbohydrazide;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite

C14H18F4N4O5 — CID 177015456

IUPACN'-acetyl-3,4-dihydroxypiperidine-1-carbohydrazide;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite
SMILESCC(=O)NNC(=O)N1CCC(O)C(O)C1.FOc1cccc(C(F)(F)F)n1
InChIInChI=1S/C8H15N3O4.C6H3F4NO/c1-5(12)9-10-8(15)11-3-2-6(13)7(14)4-11;7-6(8,9)4-2-1-3-5(11-4)12-10/h6-7,13-14H,2-4H2,1H3,(H,9,12)(H,10,15);1-3H
InChIKeyDZDCXJUPMSROGI-UHFFFAOYSA-N
MW398.31 g/mol
LogP0.54
Rot. Bonds1

About N'-acetyl-3,4-dihydroxypiperidine-1-carbohydrazide;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite

N'-acetyl-3,4-dihydroxypiperidine-1-carbohydrazide;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite (PubChem CID 177015456) has the molecular formula C14H18F4N4O5 and a molecular weight of 398.31 g/mol. Its IUPAC name is N'-acetyl-3,4-dihydroxypiperidine-1-carbohydrazide;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite.

Molecular Properties

Compound NameN'-acetyl-3,4-dihydroxypiperidine-1-carbohydrazide;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite
PubChem CID177015456
Molecular FormulaC14H18F4N4O5
Molecular Weight398.31 g/mol
Exact Mass398.12
IUPAC NameN'-acetyl-3,4-dihydroxypiperidine-1-carbohydrazide;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite
SMILESCC(=O)NNC(=O)N1CCC(O)C(O)C1.FOc1cccc(C(F)(F)F)n1
InChIInChI=1S/C8H15N3O4.C6H3F4NO/c1-5(12)9-10-8(15)11-3-2-6(13)7(14)4-11;7-6(8,9)4-2-1-3-5(11-4)12-10/h6-7,13-14H,2-4H2,1H3,(H,9,12)(H,10,15);1-3H
InChIKeyDZDCXJUPMSROGI-UHFFFAOYSA-N
XLogP0.54
TPSA124.02 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.31
LogP ≤ 50.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3S,4S,5S)-N'-acetyl-3,4-dihydroxy-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carbohydrazide
CID 171557401
1-(5-Methyl-1,3,4-oxadiazol-2-yl)piperidine-3,4-diol;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite
CID 178007496
N'-acetyl-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridine-5-carbohydrazide;ethane;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite
CID 178007795

Frequently Asked Questions

What is the IUPAC name of N'-acetyl-3,4-dihydroxypiperidine-1-carbohydrazide;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite?
The IUPAC name of N'-acetyl-3,4-dihydroxypiperidine-1-carbohydrazide;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite (CID 177015456) is N'-acetyl-3,4-dihydroxypiperidine-1-carbohydrazide;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite.
What is the SMILES notation for N'-acetyl-3,4-dihydroxypiperidine-1-carbohydrazide;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite?
The canonical SMILES for N'-acetyl-3,4-dihydroxypiperidine-1-carbohydrazide;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite is CC(=O)NNC(=O)N1CCC(O)C(O)C1.FOc1cccc(C(F)(F)F)n1.
What is the InChIKey of N'-acetyl-3,4-dihydroxypiperidine-1-carbohydrazide;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite?
The InChIKey is DZDCXJUPMSROGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O4.C6H3F4NO/c1-5(12)9-10-8(15)11-3-2-6(13)7(14)4-11;7-6(8,9)4-2-1-3-5(11-4)12-10/h6-7,13-14H,2-4H2,1H3,(H,9,12)(H,10,15);1-3H.
What are the key properties of N'-acetyl-3,4-dihydroxypiperidine-1-carbohydrazide;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite?
N'-acetyl-3,4-dihydroxypiperidine-1-carbohydrazide;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite has a molecular weight of 398.31 g/mol, XLogP of 0.54, 1 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acetyl-3,4-dihydroxypiperidine-1-carbohydrazide;[6-(trifluoromethyl)-2-pyridinyl] hypofluorite is sourced from PubChem (CID 177015456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).