4-(2,4-difluorophenoxy)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)piperidine-1-carboxamide

C18H22F2N2O3 — CID 136514721

IUPAC4-(2,4-difluorophenoxy)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)piperidine-1-carboxamide
SMILESO=C(NC1CC2CCC1O2)N1CCC(Oc2ccc(F)cc2F)CC1
InChIInChI=1S/C18H22F2N2O3/c19-11-1-3-16(14(20)9-11)24-12-5-7-22(8-6-12)18(23)21-15-10-13-2-4-17(15)25-13/h1,3,9,12-13,15,17H,2,4-8,10H2,(H,21,23)
InChIKeyHYGBKTKVGQVLIK-UHFFFAOYSA-N
MW352.38 g/mol
LogP2.84
Rot. Bonds3

About 4-(2,4-difluorophenoxy)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)piperidine-1-carboxamide

4-(2,4-difluorophenoxy)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)piperidine-1-carboxamide (PubChem CID 136514721) has the molecular formula C18H22F2N2O3 and a molecular weight of 352.38 g/mol. Its IUPAC name is 4-(2,4-difluorophenoxy)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(2,4-difluorophenoxy)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)piperidine-1-carboxamide
PubChem CID136514721
Molecular FormulaC18H22F2N2O3
Molecular Weight352.38 g/mol
Exact Mass352.16
IUPAC Name4-(2,4-difluorophenoxy)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)piperidine-1-carboxamide
SMILESO=C(NC1CC2CCC1O2)N1CCC(Oc2ccc(F)cc2F)CC1
InChIInChI=1S/C18H22F2N2O3/c19-11-1-3-16(14(20)9-11)24-12-5-7-22(8-6-12)18(23)21-15-10-13-2-4-17(15)25-13/h1,3,9,12-13,15,17H,2,4-8,10H2,(H,21,23)
InChIKeyHYGBKTKVGQVLIK-UHFFFAOYSA-N
XLogP2.84
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.38
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenoxy)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)piperidine-1-carboxamide?
The IUPAC name of 4-(2,4-difluorophenoxy)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)piperidine-1-carboxamide (CID 136514721) is 4-(2,4-difluorophenoxy)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(2,4-difluorophenoxy)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-(2,4-difluorophenoxy)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)piperidine-1-carboxamide is O=C(NC1CC2CCC1O2)N1CCC(Oc2ccc(F)cc2F)CC1.
What is the InChIKey of 4-(2,4-difluorophenoxy)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)piperidine-1-carboxamide?
The InChIKey is HYGBKTKVGQVLIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F2N2O3/c19-11-1-3-16(14(20)9-11)24-12-5-7-22(8-6-12)18(23)21-15-10-13-2-4-17(15)25-13/h1,3,9,12-13,15,17H,2,4-8,10H2,(H,21,23).
What are the key properties of 4-(2,4-difluorophenoxy)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)piperidine-1-carboxamide?
4-(2,4-difluorophenoxy)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)piperidine-1-carboxamide has a molecular weight of 352.38 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenoxy)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 136514721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).