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

C13H14ClF3N2O3 — CID 129345559

IUPACN-[(3R,6R)-1-(2-chlorofuran-3-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CC[C@H](C(F)(F)F)N(C(=O)c2ccoc2Cl)C1
InChIInChI=1S/C13H14ClF3N2O3/c1-7(20)18-8-2-3-10(13(15,16)17)19(6-8)12(21)9-4-5-22-11(9)14/h4-5,8,10H,2-3,6H2,1H3,(H,18,20)/t8-,10-/m1/s1
InChIKeyABGFNXOQMQQPDI-PSASIEDQSA-N
MW338.71 g/mol
LogP2.60
Rot. Bonds2

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

N-[(3R,6R)-1-(2-chlorofuran-3-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide (PubChem CID 129345559) has the molecular formula C13H14ClF3N2O3 and a molecular weight of 338.71 g/mol. Its IUPAC name is N-[(3R,6R)-1-(2-chlorofuran-3-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3R,6R)-1-(2-chlorofuran-3-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide
PubChem CID129345559
Molecular FormulaC13H14ClF3N2O3
Molecular Weight338.71 g/mol
Exact Mass338.06
IUPAC NameN-[(3R,6R)-1-(2-chlorofuran-3-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CC[C@H](C(F)(F)F)N(C(=O)c2ccoc2Cl)C1
InChIInChI=1S/C13H14ClF3N2O3/c1-7(20)18-8-2-3-10(13(15,16)17)19(6-8)12(21)9-4-5-22-11(9)14/h4-5,8,10H,2-3,6H2,1H3,(H,18,20)/t8-,10-/m1/s1
InChIKeyABGFNXOQMQQPDI-PSASIEDQSA-N
XLogP2.60
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.71
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3R,6R)-1-(2-chlorofuran-3-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3R,6R)-1-(2-chlorofuran-3-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide?
The IUPAC name of N-[(3R,6R)-1-(2-chlorofuran-3-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide (CID 129345559) is N-[(3R,6R)-1-(2-chlorofuran-3-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide.
What is the SMILES notation for N-[(3R,6R)-1-(2-chlorofuran-3-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide?
The canonical SMILES for N-[(3R,6R)-1-(2-chlorofuran-3-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide is CC(=O)N[C@@H]1CC[C@H](C(F)(F)F)N(C(=O)c2ccoc2Cl)C1.
What is the InChIKey of N-[(3R,6R)-1-(2-chlorofuran-3-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide?
The InChIKey is ABGFNXOQMQQPDI-PSASIEDQSA-N. The full InChI is InChI=1S/C13H14ClF3N2O3/c1-7(20)18-8-2-3-10(13(15,16)17)19(6-8)12(21)9-4-5-22-11(9)14/h4-5,8,10H,2-3,6H2,1H3,(H,18,20)/t8-,10-/m1/s1.
What are the key properties of N-[(3R,6R)-1-(2-chlorofuran-3-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide?
N-[(3R,6R)-1-(2-chlorofuran-3-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide has a molecular weight of 338.71 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,6R)-1-(2-chlorofuran-3-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide is sourced from PubChem (CID 129345559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).