N-[(3S,6S)-1-(3-methyl-1,2-oxazole-5-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide

C13H16F3N3O3 — CID 129491835

IUPACN-[(3S,6S)-1-(3-methyl-1,2-oxazole-5-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide
SMILESCC(=O)N[C@H]1CC[C@@H](C(F)(F)F)N(C(=O)c2cc(C)no2)C1
InChIInChI=1S/C13H16F3N3O3/c1-7-5-10(22-18-7)12(21)19-6-9(17-8(2)20)3-4-11(19)13(14,15)16/h5,9,11H,3-4,6H2,1-2H3,(H,17,20)/t9-,11-/m0/s1
InChIKeyUKBHCULDLMUGNL-ONGXEEELSA-N
MW319.28 g/mol
LogP1.65
Rot. Bonds2

About N-[(3S,6S)-1-(3-methyl-1,2-oxazole-5-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide

N-[(3S,6S)-1-(3-methyl-1,2-oxazole-5-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide (PubChem CID 129491835) has the molecular formula C13H16F3N3O3 and a molecular weight of 319.28 g/mol. Its IUPAC name is N-[(3S,6S)-1-(3-methyl-1,2-oxazole-5-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S,6S)-1-(3-methyl-1,2-oxazole-5-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide
PubChem CID129491835
Molecular FormulaC13H16F3N3O3
Molecular Weight319.28 g/mol
Exact Mass319.11
IUPAC NameN-[(3S,6S)-1-(3-methyl-1,2-oxazole-5-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide
SMILESCC(=O)N[C@H]1CC[C@@H](C(F)(F)F)N(C(=O)c2cc(C)no2)C1
InChIInChI=1S/C13H16F3N3O3/c1-7-5-10(22-18-7)12(21)19-6-9(17-8(2)20)3-4-11(19)13(14,15)16/h5,9,11H,3-4,6H2,1-2H3,(H,17,20)/t9-,11-/m0/s1
InChIKeyUKBHCULDLMUGNL-ONGXEEELSA-N
XLogP1.65
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.28
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R,6S)-1-[2-(5-methyl-1,2-oxazol-3-yl)acetyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide
CID 129345739
N-[(3R,6S)-1-(5-methyl-1,3-oxazole-4-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide
CID 129491793
N-[1-(pyridine-4-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide
CID 128989570
N-[(3S,6S)-1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide
CID 129491804
N-[1-(2-fluoro-3-methylbenzoyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide
CID 128989597
N-[1-[4-(dimethylamino)pyridine-2-carbonyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide
CID 128970682
N-[(3R,6R)-1-(3-cyano-4-fluorobenzoyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide
CID 129345616
N-[(3R,6S)-1-(cyclopent-3-ene-1-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide
CID 129352014
N-[1-[2-(1-methylpyrazol-4-yl)acetyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide
CID 128989498
N-[(3R,6S)-1-[3-(furan-3-yl)propanoyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide
CID 129345744
N-[1-[2-(2-methylpyrazol-3-yl)acetyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide
CID 128989560
N-[(3S,6S)-1-[3-(1-methylpyrazol-4-yl)propanoyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide
CID 129345714

Frequently Asked Questions

What is the IUPAC name of N-[(3S,6S)-1-(3-methyl-1,2-oxazole-5-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide?
The IUPAC name of N-[(3S,6S)-1-(3-methyl-1,2-oxazole-5-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide (CID 129491835) is N-[(3S,6S)-1-(3-methyl-1,2-oxazole-5-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide.
What is the SMILES notation for N-[(3S,6S)-1-(3-methyl-1,2-oxazole-5-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide?
The canonical SMILES for N-[(3S,6S)-1-(3-methyl-1,2-oxazole-5-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide is CC(=O)N[C@H]1CC[C@@H](C(F)(F)F)N(C(=O)c2cc(C)no2)C1.
What is the InChIKey of N-[(3S,6S)-1-(3-methyl-1,2-oxazole-5-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide?
The InChIKey is UKBHCULDLMUGNL-ONGXEEELSA-N. The full InChI is InChI=1S/C13H16F3N3O3/c1-7-5-10(22-18-7)12(21)19-6-9(17-8(2)20)3-4-11(19)13(14,15)16/h5,9,11H,3-4,6H2,1-2H3,(H,17,20)/t9-,11-/m0/s1.
What are the key properties of N-[(3S,6S)-1-(3-methyl-1,2-oxazole-5-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide?
N-[(3S,6S)-1-(3-methyl-1,2-oxazole-5-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide has a molecular weight of 319.28 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,6S)-1-(3-methyl-1,2-oxazole-5-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide is sourced from PubChem (CID 129491835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).