N-[(3R,6S)-1-[2-(oxan-4-yl)acetyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide

C15H23F3N2O3 — CID 129491817

IUPACN-[(3R,6S)-1-[2-(oxan-4-yl)acetyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CC[C@@H](C(F)(F)F)N(C(=O)CC2CCOCC2)C1
InChIInChI=1S/C15H23F3N2O3/c1-10(21)19-12-2-3-13(15(16,17)18)20(9-12)14(22)8-11-4-6-23-7-5-11/h11-13H,2-9H2,1H3,(H,19,21)/t12-,13+/m1/s1
InChIKeyLYELLKMNELVMBC-OLZOCXBDSA-N
MW336.35 g/mol
LogP1.86
Rot. Bonds3

About N-[(3R,6S)-1-[2-(oxan-4-yl)acetyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide

N-[(3R,6S)-1-[2-(oxan-4-yl)acetyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide (PubChem CID 129491817) has the molecular formula C15H23F3N2O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is N-[(3R,6S)-1-[2-(oxan-4-yl)acetyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3R,6S)-1-[2-(oxan-4-yl)acetyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide
PubChem CID129491817
Molecular FormulaC15H23F3N2O3
Molecular Weight336.35 g/mol
Exact Mass336.17
IUPAC NameN-[(3R,6S)-1-[2-(oxan-4-yl)acetyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CC[C@@H](C(F)(F)F)N(C(=O)CC2CCOCC2)C1
InChIInChI=1S/C15H23F3N2O3/c1-10(21)19-12-2-3-13(15(16,17)18)20(9-12)14(22)8-11-4-6-23-7-5-11/h11-13H,2-9H2,1H3,(H,19,21)/t12-,13+/m1/s1
InChIKeyLYELLKMNELVMBC-OLZOCXBDSA-N
XLogP1.86
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,6S)-1-[2-(oxan-4-yl)acetyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide?
The IUPAC name of N-[(3R,6S)-1-[2-(oxan-4-yl)acetyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide (CID 129491817) is N-[(3R,6S)-1-[2-(oxan-4-yl)acetyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide.
What is the SMILES notation for N-[(3R,6S)-1-[2-(oxan-4-yl)acetyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide?
The canonical SMILES for N-[(3R,6S)-1-[2-(oxan-4-yl)acetyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide is CC(=O)N[C@@H]1CC[C@@H](C(F)(F)F)N(C(=O)CC2CCOCC2)C1.
What is the InChIKey of N-[(3R,6S)-1-[2-(oxan-4-yl)acetyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide?
The InChIKey is LYELLKMNELVMBC-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H23F3N2O3/c1-10(21)19-12-2-3-13(15(16,17)18)20(9-12)14(22)8-11-4-6-23-7-5-11/h11-13H,2-9H2,1H3,(H,19,21)/t12-,13+/m1/s1.
What are the key properties of N-[(3R,6S)-1-[2-(oxan-4-yl)acetyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide?
N-[(3R,6S)-1-[2-(oxan-4-yl)acetyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide has a molecular weight of 336.35 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,6S)-1-[2-(oxan-4-yl)acetyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide is sourced from PubChem (CID 129491817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).