N-(oxolan-2-ylmethyl)-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide

C13H21F3N2O3 — CID 75427473

IUPACN-(oxolan-2-ylmethyl)-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide
SMILESO=C(NCC1CCCO1)N1CCC(C(O)C(F)(F)F)CC1
InChIInChI=1S/C13H21F3N2O3/c14-13(15,16)11(19)9-3-5-18(6-4-9)12(20)17-8-10-2-1-7-21-10/h9-11,19H,1-8H2,(H,17,20)
InChIKeyXIIPNNURHIRLDR-UHFFFAOYSA-N
MW310.32 g/mol
LogP1.51
Rot. Bonds3

About N-(oxolan-2-ylmethyl)-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide

N-(oxolan-2-ylmethyl)-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide (PubChem CID 75427473) has the molecular formula C13H21F3N2O3 and a molecular weight of 310.32 g/mol. Its IUPAC name is N-(oxolan-2-ylmethyl)-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(oxolan-2-ylmethyl)-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide
PubChem CID75427473
Molecular FormulaC13H21F3N2O3
Molecular Weight310.32 g/mol
Exact Mass310.15
IUPAC NameN-(oxolan-2-ylmethyl)-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide
SMILESO=C(NCC1CCCO1)N1CCC(C(O)C(F)(F)F)CC1
InChIInChI=1S/C13H21F3N2O3/c14-13(15,16)11(19)9-3-5-18(6-4-9)12(20)17-8-10-2-1-7-21-10/h9-11,19H,1-8H2,(H,17,20)
InChIKeyXIIPNNURHIRLDR-UHFFFAOYSA-N
XLogP1.51
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(5S)-N-butyl-3-(difluoromethyl)-5-hydroxypiperidine-1-carboxamide
CID 126716147
3-(difluoromethyl)-5-hydroxy-N-propylpiperidine-1-carboxamide
CID 126716201
N-butyl-3-(difluoromethyl)-5-hydroxypiperidine-1-carboxamide
CID 130283303
(3R,4R,5S)-3-(difluoromethyl)-5-hydroxy-4-methyl-N-propylpiperidine-1-carboxamide
CID 139513575
4-hydroxy-N-(2-methyloxolan-3-yl)-4-(trifluoromethyl)piperidine-1-carboxamide
CID 75483152
1-[(2-Methyloxolan-2-yl)methyl]-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]urea
CID 91650183
N-[[(2R)-oxolan-2-yl]methyl]-4-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]piperidine-1-carboxamide
CID 97321628
N-[[(2S)-oxolan-2-yl]methyl]-4-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]piperidine-1-carboxamide
CID 97321629
N-[[(2R)-oxolan-2-yl]methyl]-4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]piperidine-1-carboxamide
CID 97321630
N-[[(2S)-oxolan-2-yl]methyl]-4-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]piperidine-1-carboxamide
CID 97321631
4-hydroxy-N-[(2R,3R)-2-methyloxolan-3-yl]-4-(trifluoromethyl)piperidine-1-carboxamide
CID 97334298
4-hydroxy-N-[(2S,3R)-2-methyloxolan-3-yl]-4-(trifluoromethyl)piperidine-1-carboxamide
CID 97334299

Frequently Asked Questions

What is the IUPAC name of N-(oxolan-2-ylmethyl)-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide?
The IUPAC name of N-(oxolan-2-ylmethyl)-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide (CID 75427473) is N-(oxolan-2-ylmethyl)-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(oxolan-2-ylmethyl)-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide?
The canonical SMILES for N-(oxolan-2-ylmethyl)-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide is O=C(NCC1CCCO1)N1CCC(C(O)C(F)(F)F)CC1.
What is the InChIKey of N-(oxolan-2-ylmethyl)-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide?
The InChIKey is XIIPNNURHIRLDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O3/c14-13(15,16)11(19)9-3-5-18(6-4-9)12(20)17-8-10-2-1-7-21-10/h9-11,19H,1-8H2,(H,17,20).
What are the key properties of N-(oxolan-2-ylmethyl)-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide?
N-(oxolan-2-ylmethyl)-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide has a molecular weight of 310.32 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxolan-2-ylmethyl)-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide is sourced from PubChem (CID 75427473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).