(2R,5R)-N,5-dihydroxy-1-[[3-(trifluoromethyl)phenyl]methoxy]piperidine-2-carboxamide

C14H17F3N2O4 — CID 101172333

IUPAC(2R,5R)-N,5-dihydroxy-1-[[3-(trifluoromethyl)phenyl]methoxy]piperidine-2-carboxamide
SMILESO=C(NO)[C@H]1CC[C@@H](O)CN1OCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H17F3N2O4/c15-14(16,17)10-3-1-2-9(6-10)8-23-19-7-11(20)4-5-12(19)13(21)18-22/h1-3,6,11-12,20,22H,4-5,7-8H2,(H,18,21)/t11-,12-/m1/s1
InChIKeyCOPRTDUXTWITOA-VXGBXAGGSA-N
MW334.29 g/mol
LogP1.47
Rot. Bonds4

About (2R,5R)-N,5-dihydroxy-1-[[3-(trifluoromethyl)phenyl]methoxy]piperidine-2-carboxamide

(2R,5R)-N,5-dihydroxy-1-[[3-(trifluoromethyl)phenyl]methoxy]piperidine-2-carboxamide (PubChem CID 101172333) has the molecular formula C14H17F3N2O4 and a molecular weight of 334.29 g/mol. Its IUPAC name is (2R,5R)-N,5-dihydroxy-1-[[3-(trifluoromethyl)phenyl]methoxy]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R,5R)-N,5-dihydroxy-1-[[3-(trifluoromethyl)phenyl]methoxy]piperidine-2-carboxamide
PubChem CID101172333
Molecular FormulaC14H17F3N2O4
Molecular Weight334.29 g/mol
Exact Mass334.11
IUPAC Name(2R,5R)-N,5-dihydroxy-1-[[3-(trifluoromethyl)phenyl]methoxy]piperidine-2-carboxamide
SMILESO=C(NO)[C@H]1CC[C@@H](O)CN1OCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H17F3N2O4/c15-14(16,17)10-3-1-2-9(6-10)8-23-19-7-11(20)4-5-12(19)13(21)18-22/h1-3,6,11-12,20,22H,4-5,7-8H2,(H,18,21)/t11-,12-/m1/s1
InChIKeyCOPRTDUXTWITOA-VXGBXAGGSA-N
XLogP1.47
TPSA82.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.29
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R,4R)-4-hydroxy-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid
CID 86731621
1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-ol
CID 5180021
[3-(trifluoromethyl)phenyl]methyl 3-aminobenzoate
CID 60665378
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-methyl-3-[3-(trifluoromethyl)phenyl]propan-1-one
CID 111561047
N-cyclopropyl-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 163345849
(2S)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid
CID 67172686
N-[[2-(methoxymethyl)phenyl]methyl]-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 47040518
(3R,4R)-4-hydroxy-1-methyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide
CID 157016308
2-[[3-(trifluoromethyl)phenyl]methoxyamino]acetic acid
CID 141259351
(3S)-N-methyl-1-[[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]pyrrolidine-3-carboxamide
CID 176929976
N-[[3-(methoxymethyl)phenyl]methyl]-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 47041524
1-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol
CID 110539722

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-N,5-dihydroxy-1-[[3-(trifluoromethyl)phenyl]methoxy]piperidine-2-carboxamide?
The IUPAC name of (2R,5R)-N,5-dihydroxy-1-[[3-(trifluoromethyl)phenyl]methoxy]piperidine-2-carboxamide (CID 101172333) is (2R,5R)-N,5-dihydroxy-1-[[3-(trifluoromethyl)phenyl]methoxy]piperidine-2-carboxamide.
What is the SMILES notation for (2R,5R)-N,5-dihydroxy-1-[[3-(trifluoromethyl)phenyl]methoxy]piperidine-2-carboxamide?
The canonical SMILES for (2R,5R)-N,5-dihydroxy-1-[[3-(trifluoromethyl)phenyl]methoxy]piperidine-2-carboxamide is O=C(NO)[C@H]1CC[C@@H](O)CN1OCc1cccc(C(F)(F)F)c1.
What is the InChIKey of (2R,5R)-N,5-dihydroxy-1-[[3-(trifluoromethyl)phenyl]methoxy]piperidine-2-carboxamide?
The InChIKey is COPRTDUXTWITOA-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H17F3N2O4/c15-14(16,17)10-3-1-2-9(6-10)8-23-19-7-11(20)4-5-12(19)13(21)18-22/h1-3,6,11-12,20,22H,4-5,7-8H2,(H,18,21)/t11-,12-/m1/s1.
What are the key properties of (2R,5R)-N,5-dihydroxy-1-[[3-(trifluoromethyl)phenyl]methoxy]piperidine-2-carboxamide?
(2R,5R)-N,5-dihydroxy-1-[[3-(trifluoromethyl)phenyl]methoxy]piperidine-2-carboxamide has a molecular weight of 334.29 g/mol, XLogP of 1.47, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-N,5-dihydroxy-1-[[3-(trifluoromethyl)phenyl]methoxy]piperidine-2-carboxamide is sourced from PubChem (CID 101172333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).