4,4-difluoro-N-(oxan-4-yl)piperidine-1-carboxamide

C11H18F2N2O2 — CID 121184665

IUPAC4,4-difluoro-N-(oxan-4-yl)piperidine-1-carboxamide
SMILESO=C(NC1CCOCC1)N1CCC(F)(F)CC1
InChIInChI=1S/C11H18F2N2O2/c12-11(13)3-5-15(6-4-11)10(16)14-9-1-7-17-8-2-9/h9H,1-8H2,(H,14,16)
InChIKeyWCWCNHCFYRHYCL-UHFFFAOYSA-N
MW248.27 g/mol
LogP1.61
Rot. Bonds1

About 4,4-difluoro-N-(oxan-4-yl)piperidine-1-carboxamide

4,4-difluoro-N-(oxan-4-yl)piperidine-1-carboxamide (PubChem CID 121184665) has the molecular formula C11H18F2N2O2 and a molecular weight of 248.27 g/mol. Its IUPAC name is 4,4-difluoro-N-(oxan-4-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4,4-difluoro-N-(oxan-4-yl)piperidine-1-carboxamide
PubChem CID121184665
Molecular FormulaC11H18F2N2O2
Molecular Weight248.27 g/mol
Exact Mass248.13
IUPAC Name4,4-difluoro-N-(oxan-4-yl)piperidine-1-carboxamide
SMILESO=C(NC1CCOCC1)N1CCC(F)(F)CC1
InChIInChI=1S/C11H18F2N2O2/c12-11(13)3-5-15(6-4-11)10(16)14-9-1-7-17-8-2-9/h9H,1-8H2,(H,14,16)
InChIKeyWCWCNHCFYRHYCL-UHFFFAOYSA-N
XLogP1.61
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.27
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-N-(oxan-4-yl)piperidine-1-carboxamide?
The IUPAC name of 4,4-difluoro-N-(oxan-4-yl)piperidine-1-carboxamide (CID 121184665) is 4,4-difluoro-N-(oxan-4-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4,4-difluoro-N-(oxan-4-yl)piperidine-1-carboxamide?
The canonical SMILES for 4,4-difluoro-N-(oxan-4-yl)piperidine-1-carboxamide is O=C(NC1CCOCC1)N1CCC(F)(F)CC1.
What is the InChIKey of 4,4-difluoro-N-(oxan-4-yl)piperidine-1-carboxamide?
The InChIKey is WCWCNHCFYRHYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2N2O2/c12-11(13)3-5-15(6-4-11)10(16)14-9-1-7-17-8-2-9/h9H,1-8H2,(H,14,16).
What are the key properties of 4,4-difluoro-N-(oxan-4-yl)piperidine-1-carboxamide?
4,4-difluoro-N-(oxan-4-yl)piperidine-1-carboxamide has a molecular weight of 248.27 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-N-(oxan-4-yl)piperidine-1-carboxamide is sourced from PubChem (CID 121184665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).