4-hydroxy-N-[(2S,3S)-2-methyloxolan-3-yl]-4-(trifluoromethyl)piperidine-1-carboxamide

C12H19F3N2O3 — CID 97334301

IUPAC4-hydroxy-N-[(2S,3S)-2-methyloxolan-3-yl]-4-(trifluoromethyl)piperidine-1-carboxamide
SMILESC[C@@H]1OCC[C@@H]1NC(=O)N1CCC(O)(C(F)(F)F)CC1
InChIInChI=1S/C12H19F3N2O3/c1-8-9(2-7-20-8)16-10(18)17-5-3-11(19,4-6-17)12(13,14)15/h8-9,19H,2-7H2,1H3,(H,16,18)/t8-,9-/m0/s1
InChIKeyWFOIGZFGPHFGSP-IUCAKERBSA-N
MW296.29 g/mol
LogP1.26
Rot. Bonds1

About 4-hydroxy-N-[(2S,3S)-2-methyloxolan-3-yl]-4-(trifluoromethyl)piperidine-1-carboxamide

4-hydroxy-N-[(2S,3S)-2-methyloxolan-3-yl]-4-(trifluoromethyl)piperidine-1-carboxamide (PubChem CID 97334301) has the molecular formula C12H19F3N2O3 and a molecular weight of 296.29 g/mol. Its IUPAC name is 4-hydroxy-N-[(2S,3S)-2-methyloxolan-3-yl]-4-(trifluoromethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-[(2S,3S)-2-methyloxolan-3-yl]-4-(trifluoromethyl)piperidine-1-carboxamide
PubChem CID97334301
Molecular FormulaC12H19F3N2O3
Molecular Weight296.29 g/mol
Exact Mass296.13
IUPAC Name4-hydroxy-N-[(2S,3S)-2-methyloxolan-3-yl]-4-(trifluoromethyl)piperidine-1-carboxamide
SMILESC[C@@H]1OCC[C@@H]1NC(=O)N1CCC(O)(C(F)(F)F)CC1
InChIInChI=1S/C12H19F3N2O3/c1-8-9(2-7-20-8)16-10(18)17-5-3-11(19,4-6-17)12(13,14)15/h8-9,19H,2-7H2,1H3,(H,16,18)/t8-,9-/m0/s1
InChIKeyWFOIGZFGPHFGSP-IUCAKERBSA-N
XLogP1.26
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(oxolan-2-ylmethyl)-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide
CID 75427473
[1-(4,4-Difluoro-2-methyl-1-oxa-6-azaspiro[2.4]heptane-6-carbonyl)piperidin-4-yl]cyanamide
CID 178147757
N-(4-methoxy-4-methylpentan-2-yl)-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide
CID 71968507
3-[1-(2,2-Difluoroethyl)piperidin-4-yl]-1-ethyl-1-(oxolan-2-ylmethyl)urea
CID 72145137
4-hydroxy-N-(1-methoxy-4-methylpentan-3-yl)-4-(trifluoromethyl)piperidine-1-carboxamide
CID 75443058
4-hydroxy-N-(2-methoxycyclohexyl)-4-(trifluoromethyl)piperidine-1-carboxamide
CID 75471767
4-hydroxy-N-(2-methoxy-2-methylpropyl)-4-(trifluoromethyl)piperidine-1-carboxamide
CID 75483149
4-hydroxy-N-(2-methyloxolan-3-yl)-4-(trifluoromethyl)piperidine-1-carboxamide
CID 75483152
N-(3-cyclopentyloxypropyl)-4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxamide
CID 84598327
3-(2-hydroxypropyl)-N-[4-(trifluoromethyl)cyclohexyl]morpholine-4-carboxamide
CID 84600115
4-hydroxy-N-(3-propan-2-yloxypropyl)-4-(trifluoromethyl)piperidine-1-carboxamide
CID 86782210
1-[(2-Methyloxolan-2-yl)methyl]-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]urea
CID 91650183

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[(2S,3S)-2-methyloxolan-3-yl]-4-(trifluoromethyl)piperidine-1-carboxamide?
The IUPAC name of 4-hydroxy-N-[(2S,3S)-2-methyloxolan-3-yl]-4-(trifluoromethyl)piperidine-1-carboxamide (CID 97334301) is 4-hydroxy-N-[(2S,3S)-2-methyloxolan-3-yl]-4-(trifluoromethyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-hydroxy-N-[(2S,3S)-2-methyloxolan-3-yl]-4-(trifluoromethyl)piperidine-1-carboxamide?
The canonical SMILES for 4-hydroxy-N-[(2S,3S)-2-methyloxolan-3-yl]-4-(trifluoromethyl)piperidine-1-carboxamide is C[C@@H]1OCC[C@@H]1NC(=O)N1CCC(O)(C(F)(F)F)CC1.
What is the InChIKey of 4-hydroxy-N-[(2S,3S)-2-methyloxolan-3-yl]-4-(trifluoromethyl)piperidine-1-carboxamide?
The InChIKey is WFOIGZFGPHFGSP-IUCAKERBSA-N. The full InChI is InChI=1S/C12H19F3N2O3/c1-8-9(2-7-20-8)16-10(18)17-5-3-11(19,4-6-17)12(13,14)15/h8-9,19H,2-7H2,1H3,(H,16,18)/t8-,9-/m0/s1.
What are the key properties of 4-hydroxy-N-[(2S,3S)-2-methyloxolan-3-yl]-4-(trifluoromethyl)piperidine-1-carboxamide?
4-hydroxy-N-[(2S,3S)-2-methyloxolan-3-yl]-4-(trifluoromethyl)piperidine-1-carboxamide has a molecular weight of 296.29 g/mol, XLogP of 1.26, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[(2S,3S)-2-methyloxolan-3-yl]-4-(trifluoromethyl)piperidine-1-carboxamide is sourced from PubChem (CID 97334301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).