N-[(3R,6S)-1-[3-(furan-3-yl)propanoyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide

C15H19F3N2O3 — CID 129345744

IUPACN-[(3R,6S)-1-[3-(furan-3-yl)propanoyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CC[C@@H](C(F)(F)F)N(C(=O)CCc2ccoc2)C1
InChIInChI=1S/C15H19F3N2O3/c1-10(21)19-12-3-4-13(15(16,17)18)20(8-12)14(22)5-2-11-6-7-23-9-11/h6-7,9,12-13H,2-5,8H2,1H3,(H,19,21)/t12-,13+/m1/s1
InChIKeyRJUHSVIDVOZAIY-OLZOCXBDSA-N
MW332.32 g/mol
LogP2.27
Rot. Bonds4

About N-[(3R,6S)-1-[3-(furan-3-yl)propanoyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide

N-[(3R,6S)-1-[3-(furan-3-yl)propanoyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide (PubChem CID 129345744) has the molecular formula C15H19F3N2O3 and a molecular weight of 332.32 g/mol. Its IUPAC name is N-[(3R,6S)-1-[3-(furan-3-yl)propanoyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3R,6S)-1-[3-(furan-3-yl)propanoyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide
PubChem CID129345744
Molecular FormulaC15H19F3N2O3
Molecular Weight332.32 g/mol
Exact Mass332.13
IUPAC NameN-[(3R,6S)-1-[3-(furan-3-yl)propanoyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CC[C@@H](C(F)(F)F)N(C(=O)CCc2ccoc2)C1
InChIInChI=1S/C15H19F3N2O3/c1-10(21)19-12-3-4-13(15(16,17)18)20(8-12)14(22)5-2-11-6-7-23-9-11/h6-7,9,12-13H,2-5,8H2,1H3,(H,19,21)/t12-,13+/m1/s1
InChIKeyRJUHSVIDVOZAIY-OLZOCXBDSA-N
XLogP2.27
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.32
LogP ≤ 52.27
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-[3-(furan-3-yl)propanoyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide?
The IUPAC name of N-[(3R,6S)-1-[3-(furan-3-yl)propanoyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide (CID 129345744) is N-[(3R,6S)-1-[3-(furan-3-yl)propanoyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide.
What is the SMILES notation for N-[(3R,6S)-1-[3-(furan-3-yl)propanoyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide?
The canonical SMILES for N-[(3R,6S)-1-[3-(furan-3-yl)propanoyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide is CC(=O)N[C@@H]1CC[C@@H](C(F)(F)F)N(C(=O)CCc2ccoc2)C1.
What is the InChIKey of N-[(3R,6S)-1-[3-(furan-3-yl)propanoyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide?
The InChIKey is RJUHSVIDVOZAIY-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H19F3N2O3/c1-10(21)19-12-3-4-13(15(16,17)18)20(8-12)14(22)5-2-11-6-7-23-9-11/h6-7,9,12-13H,2-5,8H2,1H3,(H,19,21)/t12-,13+/m1/s1.
What are the key properties of N-[(3R,6S)-1-[3-(furan-3-yl)propanoyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide?
N-[(3R,6S)-1-[3-(furan-3-yl)propanoyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide has a molecular weight of 332.32 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,6S)-1-[3-(furan-3-yl)propanoyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide is sourced from PubChem (CID 129345744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).