3,3-difluoro-N-methoxy-N-methylpiperidine-4-carboxamide

C8H14F2N2O2 — CID 130719412

IUPAC3,3-difluoro-N-methoxy-N-methylpiperidine-4-carboxamide
SMILESCON(C)C(=O)C1CCNCC1(F)F
InChIInChI=1S/C8H14F2N2O2/c1-12(14-2)7(13)6-3-4-11-5-8(6,9)10/h6,11H,3-5H2,1-2H3
InChIKeyDLDWTZBQCUVOLM-UHFFFAOYSA-N
MW208.21 g/mol
LogP0.25
Rot. Bonds2

About 3,3-difluoro-N-methoxy-N-methylpiperidine-4-carboxamide

3,3-difluoro-N-methoxy-N-methylpiperidine-4-carboxamide (PubChem CID 130719412) has the molecular formula C8H14F2N2O2 and a molecular weight of 208.21 g/mol. Its IUPAC name is 3,3-difluoro-N-methoxy-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name3,3-difluoro-N-methoxy-N-methylpiperidine-4-carboxamide
PubChem CID130719412
Molecular FormulaC8H14F2N2O2
Molecular Weight208.21 g/mol
Exact Mass208.10
IUPAC Name3,3-difluoro-N-methoxy-N-methylpiperidine-4-carboxamide
SMILESCON(C)C(=O)C1CCNCC1(F)F
InChIInChI=1S/C8H14F2N2O2/c1-12(14-2)7(13)6-3-4-11-5-8(6,9)10/h6,11H,3-5H2,1-2H3
InChIKeyDLDWTZBQCUVOLM-UHFFFAOYSA-N
XLogP0.25
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3,3-difluoro-N-methoxypiperidine-4-carboxamide
CID 131047905
(4R)-3,3-difluoropiperidine-4-carboxylic acid;hydrochloride
CID 163342247
ethyl 3,3-difluoropiperidine-4-carboxylate
CID 105446715
(4S)-3,3-difluoro-4-[methoxy(methyl)carbamoyl]piperidine-1-carboxylic acid
CID 137372039
N-methoxy-N-methyl-1-piperidin-4-ylpyrrolidine-2-carboxamide
CID 61254068
3,3-difluoro-N-methoxy-N,2-dimethylcyclobutane-1-carboxamide
CID 178088138
(4S)-3,3-difluoro-N,N-dimethylpiperidin-4-amine
CID 125499591
(3S)-N-methoxy-N-methylpiperidine-3-carboxamide
CID 81140301
2-fluoro-N-methoxy-N-methyl-2-phenylcyclopropane-1-carboxamide
CID 123258315
6,6-difluoro-N-methoxy-N-methylbicyclo[3.1.0]hexane-3-carboxamide
CID 137407926
N-methoxy-N-methylspiro[2.3]hexane-2-carboxamide
CID 130725563
N-methoxy-N-methylcyclobutanecarboxamide
CID 45084194

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-N-methoxy-N-methylpiperidine-4-carboxamide?
The IUPAC name of 3,3-difluoro-N-methoxy-N-methylpiperidine-4-carboxamide (CID 130719412) is 3,3-difluoro-N-methoxy-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 3,3-difluoro-N-methoxy-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 3,3-difluoro-N-methoxy-N-methylpiperidine-4-carboxamide is CON(C)C(=O)C1CCNCC1(F)F.
What is the InChIKey of 3,3-difluoro-N-methoxy-N-methylpiperidine-4-carboxamide?
The InChIKey is DLDWTZBQCUVOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2N2O2/c1-12(14-2)7(13)6-3-4-11-5-8(6,9)10/h6,11H,3-5H2,1-2H3.
What are the key properties of 3,3-difluoro-N-methoxy-N-methylpiperidine-4-carboxamide?
3,3-difluoro-N-methoxy-N-methylpiperidine-4-carboxamide has a molecular weight of 208.21 g/mol, XLogP of 0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N-methoxy-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 130719412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).