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

C13H16F3N3O4 — CID 129345631

IUPACN-[(3R,6R)-1-(3-methoxy-1,2-oxazole-5-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide
SMILESCOc1cc(C(=O)N2C[C@H](NC(C)=O)CC[C@@H]2C(F)(F)F)on1
InChIInChI=1S/C13H16F3N3O4/c1-7(20)17-8-3-4-10(13(14,15)16)19(6-8)12(21)9-5-11(22-2)18-23-9/h5,8,10H,3-4,6H2,1-2H3,(H,17,20)/t8-,10-/m1/s1
InChIKeyGCFSXKZCAAMSFV-PSASIEDQSA-N
MW335.28 g/mol
LogP1.35
Rot. Bonds3

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

N-[(3R,6R)-1-(3-methoxy-1,2-oxazole-5-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide (PubChem CID 129345631) has the molecular formula C13H16F3N3O4 and a molecular weight of 335.28 g/mol. Its IUPAC name is N-[(3R,6R)-1-(3-methoxy-1,2-oxazole-5-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3R,6R)-1-(3-methoxy-1,2-oxazole-5-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide
PubChem CID129345631
Molecular FormulaC13H16F3N3O4
Molecular Weight335.28 g/mol
Exact Mass335.11
IUPAC NameN-[(3R,6R)-1-(3-methoxy-1,2-oxazole-5-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide
SMILESCOc1cc(C(=O)N2C[C@H](NC(C)=O)CC[C@@H]2C(F)(F)F)on1
InChIInChI=1S/C13H16F3N3O4/c1-7(20)17-8-3-4-10(13(14,15)16)19(6-8)12(21)9-5-11(22-2)18-23-9/h5,8,10H,3-4,6H2,1-2H3,(H,17,20)/t8-,10-/m1/s1
InChIKeyGCFSXKZCAAMSFV-PSASIEDQSA-N
XLogP1.35
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.28
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,6R)-1-(3-methoxy-1,2-oxazole-5-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide?
The IUPAC name of N-[(3R,6R)-1-(3-methoxy-1,2-oxazole-5-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide (CID 129345631) is N-[(3R,6R)-1-(3-methoxy-1,2-oxazole-5-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide.
What is the SMILES notation for N-[(3R,6R)-1-(3-methoxy-1,2-oxazole-5-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide?
The canonical SMILES for N-[(3R,6R)-1-(3-methoxy-1,2-oxazole-5-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide is COc1cc(C(=O)N2C[C@H](NC(C)=O)CC[C@@H]2C(F)(F)F)on1.
What is the InChIKey of N-[(3R,6R)-1-(3-methoxy-1,2-oxazole-5-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide?
The InChIKey is GCFSXKZCAAMSFV-PSASIEDQSA-N. The full InChI is InChI=1S/C13H16F3N3O4/c1-7(20)17-8-3-4-10(13(14,15)16)19(6-8)12(21)9-5-11(22-2)18-23-9/h5,8,10H,3-4,6H2,1-2H3,(H,17,20)/t8-,10-/m1/s1.
What are the key properties of N-[(3R,6R)-1-(3-methoxy-1,2-oxazole-5-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide?
N-[(3R,6R)-1-(3-methoxy-1,2-oxazole-5-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide has a molecular weight of 335.28 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,6R)-1-(3-methoxy-1,2-oxazole-5-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide is sourced from PubChem (CID 129345631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).