(3S,4R)-3-hydroxy-4-methyl-6-[3-(trifluoromethyl)piperidin-1-yl]hexanamide

C13H23F3N2O2 — CID 118374749

IUPAC(3S,4R)-3-hydroxy-4-methyl-6-[3-(trifluoromethyl)piperidin-1-yl]hexanamide
SMILESC[C@H](CCN1CCCC(C(F)(F)F)C1)[C@@H](O)CC(N)=O
InChIInChI=1S/C13H23F3N2O2/c1-9(11(19)7-12(17)20)4-6-18-5-2-3-10(8-18)13(14,15)16/h9-11,19H,2-8H2,1H3,(H2,17,20)/t9-,10?,11+/m1/s1
InChIKeyHDKYXNPHYJQYGX-FBKFWFMHSA-N
MW296.33 g/mol
LogP1.52
Rot. Bonds6

About (3S,4R)-3-hydroxy-4-methyl-6-[3-(trifluoromethyl)piperidin-1-yl]hexanamide

(3S,4R)-3-hydroxy-4-methyl-6-[3-(trifluoromethyl)piperidin-1-yl]hexanamide (PubChem CID 118374749) has the molecular formula C13H23F3N2O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is (3S,4R)-3-hydroxy-4-methyl-6-[3-(trifluoromethyl)piperidin-1-yl]hexanamide.

Molecular Properties

Compound Name(3S,4R)-3-hydroxy-4-methyl-6-[3-(trifluoromethyl)piperidin-1-yl]hexanamide
PubChem CID118374749
Molecular FormulaC13H23F3N2O2
Molecular Weight296.33 g/mol
Exact Mass296.17
IUPAC Name(3S,4R)-3-hydroxy-4-methyl-6-[3-(trifluoromethyl)piperidin-1-yl]hexanamide
SMILESC[C@H](CCN1CCCC(C(F)(F)F)C1)[C@@H](O)CC(N)=O
InChIInChI=1S/C13H23F3N2O2/c1-9(11(19)7-12(17)20)4-6-18-5-2-3-10(8-18)13(14,15)16/h9-11,19H,2-8H2,1H3,(H2,17,20)/t9-,10?,11+/m1/s1
InChIKeyHDKYXNPHYJQYGX-FBKFWFMHSA-N
XLogP1.52
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-4-methyl-6-[3-(trifluoromethyl)piperidin-1-yl]hexanamide
CID 153197476
2-methyl-4-[3-(trifluoromethyl)piperidin-1-yl]butan-1-amine
CID 81080501
(3S,4R)-3-hydroxy-4-methyl-6-(1,4-oxazepan-4-yl)hexanamide
CID 118882622
(3S,4R)-6-(3,3-difluoroazetidin-1-yl)-3-hydroxy-4-methylhexanamide
CID 118888252
(2S)-1-[3-(trifluoromethyl)piperidin-1-yl]propan-2-ol
CID 103935231
(3S,4R)-3-hydroxy-6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-4-methylhexanamide
CID 118374753
N-fluoro-2,4-dimethyl-6-[3-(trifluoromethyl)piperidin-1-yl]hexanamide;propan-2-yl hypofluorite
CID 144600535
1-(2-piperidin-1-ylethyl)-3-(trifluoromethyl)piperidine
CID 126855058
N-[2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]butan-2-amine
CID 62573860
N-(propan-2-ylcarbamoyl)-2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]acetamide
CID 27098406
hydrazinyl 3-[3-(trifluoromethyl)piperidin-1-yl]propanoate
CID 66337320
N-[(2S)-3-methylbutan-2-yl]-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]acetamide
CID 100836620

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-hydroxy-4-methyl-6-[3-(trifluoromethyl)piperidin-1-yl]hexanamide?
The IUPAC name of (3S,4R)-3-hydroxy-4-methyl-6-[3-(trifluoromethyl)piperidin-1-yl]hexanamide (CID 118374749) is (3S,4R)-3-hydroxy-4-methyl-6-[3-(trifluoromethyl)piperidin-1-yl]hexanamide.
What is the SMILES notation for (3S,4R)-3-hydroxy-4-methyl-6-[3-(trifluoromethyl)piperidin-1-yl]hexanamide?
The canonical SMILES for (3S,4R)-3-hydroxy-4-methyl-6-[3-(trifluoromethyl)piperidin-1-yl]hexanamide is C[C@H](CCN1CCCC(C(F)(F)F)C1)[C@@H](O)CC(N)=O.
What is the InChIKey of (3S,4R)-3-hydroxy-4-methyl-6-[3-(trifluoromethyl)piperidin-1-yl]hexanamide?
The InChIKey is HDKYXNPHYJQYGX-FBKFWFMHSA-N. The full InChI is InChI=1S/C13H23F3N2O2/c1-9(11(19)7-12(17)20)4-6-18-5-2-3-10(8-18)13(14,15)16/h9-11,19H,2-8H2,1H3,(H2,17,20)/t9-,10?,11+/m1/s1.
What are the key properties of (3S,4R)-3-hydroxy-4-methyl-6-[3-(trifluoromethyl)piperidin-1-yl]hexanamide?
(3S,4R)-3-hydroxy-4-methyl-6-[3-(trifluoromethyl)piperidin-1-yl]hexanamide has a molecular weight of 296.33 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-hydroxy-4-methyl-6-[3-(trifluoromethyl)piperidin-1-yl]hexanamide is sourced from PubChem (CID 118374749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).