N-[(3S,6S)-1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide

C14H18F3N3O3 — CID 129491804

IUPACN-[(3S,6S)-1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide
SMILESCC(=O)N[C@H]1CC[C@@H](C(F)(F)F)N(C(=O)c2oc(C)nc2C)C1
InChIInChI=1S/C14H18F3N3O3/c1-7-12(23-9(3)18-7)13(22)20-6-10(19-8(2)21)4-5-11(20)14(15,16)17/h10-11H,4-6H2,1-3H3,(H,19,21)/t10-,11-/m0/s1
InChIKeyIPKVWDGANTUWFA-QWRGUYRKSA-N
MW333.31 g/mol
LogP1.96
Rot. Bonds2

About N-[(3S,6S)-1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide

N-[(3S,6S)-1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide (PubChem CID 129491804) has the molecular formula C14H18F3N3O3 and a molecular weight of 333.31 g/mol. Its IUPAC name is N-[(3S,6S)-1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S,6S)-1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide
PubChem CID129491804
Molecular FormulaC14H18F3N3O3
Molecular Weight333.31 g/mol
Exact Mass333.13
IUPAC NameN-[(3S,6S)-1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide
SMILESCC(=O)N[C@H]1CC[C@@H](C(F)(F)F)N(C(=O)c2oc(C)nc2C)C1
InChIInChI=1S/C14H18F3N3O3/c1-7-12(23-9(3)18-7)13(22)20-6-10(19-8(2)21)4-5-11(20)14(15,16)17/h10-11H,4-6H2,1-3H3,(H,19,21)/t10-,11-/m0/s1
InChIKeyIPKVWDGANTUWFA-QWRGUYRKSA-N
XLogP1.96
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.31
LogP ≤ 51.96
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-[(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-[1-(2-fluoro-3-methylbenzoyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide
CID 128989597
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-(cyclopent-3-ene-1-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide
CID 129352014
N-[1-[4-(dimethylamino)pyridine-2-carbonyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide
CID 128970682
N-[1-[2-(2-methylpyrazol-3-yl)acetyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide
CID 128989560
(2,4-dimethyl-1,3-oxazol-5-yl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone
CID 124574481
N-[(3R,6R)-1-(3-cyano-4-fluorobenzoyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide
CID 129345616
2,4-dimethyl-N-(3-methylcyclopentyl)-1,3-oxazole-5-carboxamide
CID 114550016
2,2,2-trifluoro-N-[(3R,6S)-1-(3-methyl-1,2-thiazole-4-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide
CID 167899172

Frequently Asked Questions

What is the IUPAC name of N-[(3S,6S)-1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide?
The IUPAC name of N-[(3S,6S)-1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide (CID 129491804) is N-[(3S,6S)-1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide.
What is the SMILES notation for N-[(3S,6S)-1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide?
The canonical SMILES for N-[(3S,6S)-1-(2,4-dimethyl-1,3-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)c2oc(C)nc2C)C1.
What is the InChIKey of N-[(3S,6S)-1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide?
The InChIKey is IPKVWDGANTUWFA-QWRGUYRKSA-N. The full InChI is InChI=1S/C14H18F3N3O3/c1-7-12(23-9(3)18-7)13(22)20-6-10(19-8(2)21)4-5-11(20)14(15,16)17/h10-11H,4-6H2,1-3H3,(H,19,21)/t10-,11-/m0/s1.
What are the key properties of N-[(3S,6S)-1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide?
N-[(3S,6S)-1-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide has a molecular weight of 333.31 g/mol, XLogP of 1.96, 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-(2,4-dimethyl-1,3-oxazole-5-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide is sourced from PubChem (CID 129491804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).