N-[(3R,6S)-1-[2-(5-methyl-1,2-oxazol-3-yl)acetyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide

C14H18F3N3O3 — CID 129345739

IUPACN-[(3R,6S)-1-[2-(5-methyl-1,2-oxazol-3-yl)acetyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CC[C@@H](C(F)(F)F)N(C(=O)Cc2cc(C)on2)C1
InChIInChI=1S/C14H18F3N3O3/c1-8-5-11(19-23-8)6-13(22)20-7-10(18-9(2)21)3-4-12(20)14(15,16)17/h5,10,12H,3-4,6-7H2,1-2H3,(H,18,21)/t10-,12+/m1/s1
InChIKeyRCKVUGBPIUNNRM-PWSUYJOCSA-N
MW333.31 g/mol
LogP1.58
Rot. Bonds3

About N-[(3R,6S)-1-[2-(5-methyl-1,2-oxazol-3-yl)acetyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide

N-[(3R,6S)-1-[2-(5-methyl-1,2-oxazol-3-yl)acetyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide (PubChem CID 129345739) has the molecular formula C14H18F3N3O3 and a molecular weight of 333.31 g/mol. Its IUPAC name is N-[(3R,6S)-1-[2-(5-methyl-1,2-oxazol-3-yl)acetyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3R,6S)-1-[2-(5-methyl-1,2-oxazol-3-yl)acetyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide
PubChem CID129345739
Molecular FormulaC14H18F3N3O3
Molecular Weight333.31 g/mol
Exact Mass333.13
IUPAC NameN-[(3R,6S)-1-[2-(5-methyl-1,2-oxazol-3-yl)acetyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CC[C@@H](C(F)(F)F)N(C(=O)Cc2cc(C)on2)C1
InChIInChI=1S/C14H18F3N3O3/c1-8-5-11(19-23-8)6-13(22)20-7-10(18-9(2)21)3-4-12(20)14(15,16)17/h5,10,12H,3-4,6-7H2,1-2H3,(H,18,21)/t10-,12+/m1/s1
InChIKeyRCKVUGBPIUNNRM-PWSUYJOCSA-N
XLogP1.58
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.31
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S,6S)-1-(3-methyl-1,2-oxazole-5-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide
CID 129491835
N-[1-[2-(2-methylpyrazol-3-yl)acetyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide
CID 128989560
N-[1-[2-(1-methylpyrazol-4-yl)acetyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide
CID 128989498
N-[(3R,6S)-1-(5-methyl-1,3-oxazole-4-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide
CID 129491793
N-[(3S,6S)-1-[3-(1-methylpyrazol-4-yl)propanoyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide
CID 129345714
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-[(3R,6S)-1-(cyclopent-3-ene-1-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide
CID 129352014
N-[1-(2-fluoro-3-methylbenzoyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide
CID 128989597
N-[1-[3-(3-nitrophenyl)prop-2-enoyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide
CID 126801268
1-[2-(5-methyl-1,2-oxazol-3-yl)acetyl]pyrrolidine-3-carboxylic acid
CID 119354480
2-[(3S)-3-acetamidopiperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 94190647

Frequently Asked Questions

What is the IUPAC name of N-[(3R,6S)-1-[2-(5-methyl-1,2-oxazol-3-yl)acetyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide?
The IUPAC name of N-[(3R,6S)-1-[2-(5-methyl-1,2-oxazol-3-yl)acetyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide (CID 129345739) is N-[(3R,6S)-1-[2-(5-methyl-1,2-oxazol-3-yl)acetyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide.
What is the SMILES notation for N-[(3R,6S)-1-[2-(5-methyl-1,2-oxazol-3-yl)acetyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide?
The canonical SMILES for N-[(3R,6S)-1-[2-(5-methyl-1,2-oxazol-3-yl)acetyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide is CC(=O)N[C@@H]1CC[C@@H](C(F)(F)F)N(C(=O)Cc2cc(C)on2)C1.
What is the InChIKey of N-[(3R,6S)-1-[2-(5-methyl-1,2-oxazol-3-yl)acetyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide?
The InChIKey is RCKVUGBPIUNNRM-PWSUYJOCSA-N. The full InChI is InChI=1S/C14H18F3N3O3/c1-8-5-11(19-23-8)6-13(22)20-7-10(18-9(2)21)3-4-12(20)14(15,16)17/h5,10,12H,3-4,6-7H2,1-2H3,(H,18,21)/t10-,12+/m1/s1.
What are the key properties of N-[(3R,6S)-1-[2-(5-methyl-1,2-oxazol-3-yl)acetyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide?
N-[(3R,6S)-1-[2-(5-methyl-1,2-oxazol-3-yl)acetyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide has a molecular weight of 333.31 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,6S)-1-[2-(5-methyl-1,2-oxazol-3-yl)acetyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide is sourced from PubChem (CID 129345739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).