N-(2,2-difluoroethyl)-3-methoxypiperidine-1-carboxamide

C9H16F2N2O2 — CID 118740666

IUPACN-(2,2-difluoroethyl)-3-methoxypiperidine-1-carboxamide
SMILESCOC1CCCN(C(=O)NCC(F)F)C1
InChIInChI=1S/C9H16F2N2O2/c1-15-7-3-2-4-13(6-7)9(14)12-5-8(10)11/h7-8H,2-6H2,1H3,(H,12,14)
InChIKeyXYFPACDNGHMYMR-UHFFFAOYSA-N
MW222.23 g/mol
LogP1.07
Rot. Bonds3

About N-(2,2-difluoroethyl)-3-methoxypiperidine-1-carboxamide

N-(2,2-difluoroethyl)-3-methoxypiperidine-1-carboxamide (PubChem CID 118740666) has the molecular formula C9H16F2N2O2 and a molecular weight of 222.23 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-3-methoxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-3-methoxypiperidine-1-carboxamide
PubChem CID118740666
Molecular FormulaC9H16F2N2O2
Molecular Weight222.23 g/mol
Exact Mass222.12
IUPAC NameN-(2,2-difluoroethyl)-3-methoxypiperidine-1-carboxamide
SMILESCOC1CCCN(C(=O)NCC(F)F)C1
InChIInChI=1S/C9H16F2N2O2/c1-15-7-3-2-4-13(6-7)9(14)12-5-8(10)11/h7-8H,2-6H2,1H3,(H,12,14)
InChIKeyXYFPACDNGHMYMR-UHFFFAOYSA-N
XLogP1.07
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.23
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-3-methoxypiperidine-1-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-3-methoxypiperidine-1-carboxamide (CID 118740666) is N-(2,2-difluoroethyl)-3-methoxypiperidine-1-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-3-methoxypiperidine-1-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-3-methoxypiperidine-1-carboxamide is COC1CCCN(C(=O)NCC(F)F)C1.
What is the InChIKey of N-(2,2-difluoroethyl)-3-methoxypiperidine-1-carboxamide?
The InChIKey is XYFPACDNGHMYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2N2O2/c1-15-7-3-2-4-13(6-7)9(14)12-5-8(10)11/h7-8H,2-6H2,1H3,(H,12,14).
What are the key properties of N-(2,2-difluoroethyl)-3-methoxypiperidine-1-carboxamide?
N-(2,2-difluoroethyl)-3-methoxypiperidine-1-carboxamide has a molecular weight of 222.23 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-3-methoxypiperidine-1-carboxamide is sourced from PubChem (CID 118740666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).