N-[[1-(2,2-difluoroethyl)piperidin-4-yl]methyl]oxane-3-carboxamide

C14H24F2N2O2 — CID 122158387

IUPACN-[[1-(2,2-difluoroethyl)piperidin-4-yl]methyl]oxane-3-carboxamide
SMILESO=C(NCC1CCN(CC(F)F)CC1)C1CCCOC1
InChIInChI=1S/C14H24F2N2O2/c15-13(16)9-18-5-3-11(4-6-18)8-17-14(19)12-2-1-7-20-10-12/h11-13H,1-10H2,(H,17,19)
InChIKeyAAMPMEQJQVMOLO-UHFFFAOYSA-N
MW290.35 g/mol
LogP1.51
Rot. Bonds5

About N-[[1-(2,2-difluoroethyl)piperidin-4-yl]methyl]oxane-3-carboxamide

N-[[1-(2,2-difluoroethyl)piperidin-4-yl]methyl]oxane-3-carboxamide (PubChem CID 122158387) has the molecular formula C14H24F2N2O2 and a molecular weight of 290.35 g/mol. Its IUPAC name is N-[[1-(2,2-difluoroethyl)piperidin-4-yl]methyl]oxane-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(2,2-difluoroethyl)piperidin-4-yl]methyl]oxane-3-carboxamide
PubChem CID122158387
Molecular FormulaC14H24F2N2O2
Molecular Weight290.35 g/mol
Exact Mass290.18
IUPAC NameN-[[1-(2,2-difluoroethyl)piperidin-4-yl]methyl]oxane-3-carboxamide
SMILESO=C(NCC1CCN(CC(F)F)CC1)C1CCCOC1
InChIInChI=1S/C14H24F2N2O2/c15-13(16)9-18-5-3-11(4-6-18)8-17-14(19)12-2-1-7-20-10-12/h11-13H,1-10H2,(H,17,19)
InChIKeyAAMPMEQJQVMOLO-UHFFFAOYSA-N
XLogP1.51
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[1-(2,2-difluoroethyl)piperidin-4-yl]methyl]oxane-3-carboxamide 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-[[1-(2,2-difluoroethyl)piperidin-4-yl]methyl]oxane-3-carboxamide?
The IUPAC name of N-[[1-(2,2-difluoroethyl)piperidin-4-yl]methyl]oxane-3-carboxamide (CID 122158387) is N-[[1-(2,2-difluoroethyl)piperidin-4-yl]methyl]oxane-3-carboxamide.
What is the SMILES notation for N-[[1-(2,2-difluoroethyl)piperidin-4-yl]methyl]oxane-3-carboxamide?
The canonical SMILES for N-[[1-(2,2-difluoroethyl)piperidin-4-yl]methyl]oxane-3-carboxamide is O=C(NCC1CCN(CC(F)F)CC1)C1CCCOC1.
What is the InChIKey of N-[[1-(2,2-difluoroethyl)piperidin-4-yl]methyl]oxane-3-carboxamide?
The InChIKey is AAMPMEQJQVMOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F2N2O2/c15-13(16)9-18-5-3-11(4-6-18)8-17-14(19)12-2-1-7-20-10-12/h11-13H,1-10H2,(H,17,19).
What are the key properties of N-[[1-(2,2-difluoroethyl)piperidin-4-yl]methyl]oxane-3-carboxamide?
N-[[1-(2,2-difluoroethyl)piperidin-4-yl]methyl]oxane-3-carboxamide has a molecular weight of 290.35 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,2-difluoroethyl)piperidin-4-yl]methyl]oxane-3-carboxamide is sourced from PubChem (CID 122158387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).