(2S)-N-tert-butyl-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propanamide

C13H23F3N2O2 — CID 164629587

IUPAC(2S)-N-tert-butyl-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propanamide
SMILESC[C@@H](C(=O)NC(C)(C)C)N1CCC(O)(C(F)(F)F)CC1
InChIInChI=1S/C13H23F3N2O2/c1-9(10(19)17-11(2,3)4)18-7-5-12(20,6-8-18)13(14,15)16/h9,20H,5-8H2,1-4H3,(H,17,19)/t9-/m0/s1
InChIKeyGBKSQCUZQZCOLV-VIFPVBQESA-N
MW296.33 g/mol
LogP1.68
Rot. Bonds2

About (2S)-N-tert-butyl-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propanamide

(2S)-N-tert-butyl-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propanamide (PubChem CID 164629587) has the molecular formula C13H23F3N2O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is (2S)-N-tert-butyl-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-tert-butyl-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propanamide
PubChem CID164629587
Molecular FormulaC13H23F3N2O2
Molecular Weight296.33 g/mol
Exact Mass296.17
IUPAC Name(2S)-N-tert-butyl-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propanamide
SMILESC[C@@H](C(=O)NC(C)(C)C)N1CCC(O)(C(F)(F)F)CC1
InChIInChI=1S/C13H23F3N2O2/c1-9(10(19)17-11(2,3)4)18-7-5-12(20,6-8-18)13(14,15)16/h9,20H,5-8H2,1-4H3,(H,17,19)/t9-/m0/s1
InChIKeyGBKSQCUZQZCOLV-VIFPVBQESA-N
XLogP1.68
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-1-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3,3-dimethylbutan-1-one
CID 89762859
1-(2,2-Difluoroethyl)-3,3-diethyl-6-methylpiperazine-2,5-dione
CID 64885008
3,3-Diethyl-6-methyl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione
CID 64885009
3,3,6-Triethyl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione
CID 64885012
3,3-Diethyl-6-methyl-1-(2,2,2-trifluoroethyl)piperazine-2,5-dione
CID 64885199
1-(2,2-Difluoroethyl)-3,3-diethyl-6-propylpiperazine-2,5-dione
CID 64885779
3,3-Diethyl-6-propyl-1-(2,2,2-trifluoroethyl)piperazine-2,5-dione
CID 64885781
1-(2,2-Difluoroethyl)-3,3,6-triethylpiperazine-2,5-dione
CID 64886162
3,3,6-Triethyl-1-(2,2,2-trifluoroethyl)piperazine-2,5-dione
CID 64886351
3,3-Diethyl-6-propyl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione
CID 64886737
2-(4-hydroxy-4-methylpiperidin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 80702982
1-(4-Hydroxy-4-methylpiperidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone
CID 80707710

Frequently Asked Questions

What is the IUPAC name of (2S)-N-tert-butyl-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propanamide?
The IUPAC name of (2S)-N-tert-butyl-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propanamide (CID 164629587) is (2S)-N-tert-butyl-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propanamide.
What is the SMILES notation for (2S)-N-tert-butyl-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propanamide?
The canonical SMILES for (2S)-N-tert-butyl-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propanamide is C[C@@H](C(=O)NC(C)(C)C)N1CCC(O)(C(F)(F)F)CC1.
What is the InChIKey of (2S)-N-tert-butyl-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propanamide?
The InChIKey is GBKSQCUZQZCOLV-VIFPVBQESA-N. The full InChI is InChI=1S/C13H23F3N2O2/c1-9(10(19)17-11(2,3)4)18-7-5-12(20,6-8-18)13(14,15)16/h9,20H,5-8H2,1-4H3,(H,17,19)/t9-/m0/s1.
What are the key properties of (2S)-N-tert-butyl-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propanamide?
(2S)-N-tert-butyl-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propanamide has a molecular weight of 296.33 g/mol, XLogP of 1.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-tert-butyl-2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]propanamide is sourced from PubChem (CID 164629587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).