(3S,4S,5S)-N'-acetyl-3,4-dihydroxy-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carbohydrazide

C14H17F3N4O5 — CID 171557401

IUPAC(3S,4S,5S)-N'-acetyl-3,4-dihydroxy-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carbohydrazide
SMILESCC(=O)NNC(=O)N1C[C@H](Oc2cccc(C(F)(F)F)n2)[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C14H17F3N4O5/c1-7(22)19-20-13(25)21-5-8(23)12(24)9(6-21)26-11-4-2-3-10(18-11)14(15,16)17/h2-4,8-9,12,23-24H,5-6H2,1H3,(H,19,22)(H,20,25)/t8-,9-,12-/m0/s1
InChIKeyUUOVSUBJCNIXJG-AUTRQRHGSA-N
MW378.31 g/mol
LogP-0.35
Rot. Bonds2

About (3S,4S,5S)-N'-acetyl-3,4-dihydroxy-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carbohydrazide

(3S,4S,5S)-N'-acetyl-3,4-dihydroxy-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carbohydrazide (PubChem CID 171557401) has the molecular formula C14H17F3N4O5 and a molecular weight of 378.31 g/mol. Its IUPAC name is (3S,4S,5S)-N'-acetyl-3,4-dihydroxy-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carbohydrazide.

Molecular Properties

Compound Name(3S,4S,5S)-N'-acetyl-3,4-dihydroxy-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carbohydrazide
PubChem CID171557401
Molecular FormulaC14H17F3N4O5
Molecular Weight378.31 g/mol
Exact Mass378.12
IUPAC Name(3S,4S,5S)-N'-acetyl-3,4-dihydroxy-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carbohydrazide
SMILESCC(=O)NNC(=O)N1C[C@H](Oc2cccc(C(F)(F)F)n2)[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C14H17F3N4O5/c1-7(22)19-20-13(25)21-5-8(23)12(24)9(6-21)26-11-4-2-3-10(18-11)14(15,16)17/h2-4,8-9,12,23-24H,5-6H2,1H3,(H,19,22)(H,20,25)/t8-,9-,12-/m0/s1
InChIKeyUUOVSUBJCNIXJG-AUTRQRHGSA-N
XLogP-0.35
TPSA124.02 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.31
LogP ≤ 5-0.35
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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Frequently Asked Questions

What is the IUPAC name of (3S,4S,5S)-N'-acetyl-3,4-dihydroxy-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carbohydrazide?
The IUPAC name of (3S,4S,5S)-N'-acetyl-3,4-dihydroxy-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carbohydrazide (CID 171557401) is (3S,4S,5S)-N'-acetyl-3,4-dihydroxy-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carbohydrazide.
What is the SMILES notation for (3S,4S,5S)-N'-acetyl-3,4-dihydroxy-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carbohydrazide?
The canonical SMILES for (3S,4S,5S)-N'-acetyl-3,4-dihydroxy-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carbohydrazide is CC(=O)NNC(=O)N1C[C@H](Oc2cccc(C(F)(F)F)n2)[C@@H](O)[C@@H](O)C1.
What is the InChIKey of (3S,4S,5S)-N'-acetyl-3,4-dihydroxy-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carbohydrazide?
The InChIKey is UUOVSUBJCNIXJG-AUTRQRHGSA-N. The full InChI is InChI=1S/C14H17F3N4O5/c1-7(22)19-20-13(25)21-5-8(23)12(24)9(6-21)26-11-4-2-3-10(18-11)14(15,16)17/h2-4,8-9,12,23-24H,5-6H2,1H3,(H,19,22)(H,20,25)/t8-,9-,12-/m0/s1.
What are the key properties of (3S,4S,5S)-N'-acetyl-3,4-dihydroxy-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carbohydrazide?
(3S,4S,5S)-N'-acetyl-3,4-dihydroxy-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carbohydrazide has a molecular weight of 378.31 g/mol, XLogP of -0.35, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S,5S)-N'-acetyl-3,4-dihydroxy-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carbohydrazide is sourced from PubChem (CID 171557401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).