3,3-difluoro-N-methoxypiperidine-4-carboxamide

C7H12F2N2O2 — CID 131047905

IUPAC3,3-difluoro-N-methoxypiperidine-4-carboxamide
SMILESCONC(=O)C1CCNCC1(F)F
InChIInChI=1S/C7H12F2N2O2/c1-13-11-6(12)5-2-3-10-4-7(5,8)9/h5,10H,2-4H2,1H3,(H,11,12)
InChIKeyPZXAIIHGPVRHPT-UHFFFAOYSA-N
MW194.18 g/mol
LogP-0.09
Rot. Bonds2

About 3,3-difluoro-N-methoxypiperidine-4-carboxamide

3,3-difluoro-N-methoxypiperidine-4-carboxamide (PubChem CID 131047905) has the molecular formula C7H12F2N2O2 and a molecular weight of 194.18 g/mol. Its IUPAC name is 3,3-difluoro-N-methoxypiperidine-4-carboxamide.

Molecular Properties

Compound Name3,3-difluoro-N-methoxypiperidine-4-carboxamide
PubChem CID131047905
Molecular FormulaC7H12F2N2O2
Molecular Weight194.18 g/mol
Exact Mass194.09
IUPAC Name3,3-difluoro-N-methoxypiperidine-4-carboxamide
SMILESCONC(=O)C1CCNCC1(F)F
InChIInChI=1S/C7H12F2N2O2/c1-13-11-6(12)5-2-3-10-4-7(5,8)9/h5,10H,2-4H2,1H3,(H,11,12)
InChIKeyPZXAIIHGPVRHPT-UHFFFAOYSA-N
XLogP-0.09
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.18
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3,3-difluoropiperidine-4-carboxylate
CID 105446715
3,3-difluoro-N-methoxy-N-methylpiperidine-4-carboxamide
CID 130719412
(4R)-3,3-difluoropiperidine-4-carboxylic acid;hydrochloride
CID 163342247
N-methoxy-3-methylpiperidine-4-carboxamide
CID 130516234
N-methoxycyclopentanecarboxamide
CID 59130435
methyl 7,7-difluoro-3-azabicyclo[4.1.0]heptane-1-carboxylate;hydrochloride
CID 121207588
4-amino-N-methoxy-2,2,3-trimethylcyclohexane-1-carboxamide
CID 102628940
methyl 1-(piperidine-4-carbonylamino)cycloheptane-1-carboxylate
CID 119279270
3-fluoro-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide
CID 130637858
3-fluoro-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide;hydrochloride
CID 130637857
methyl 4-hydroxy-3-methylpiperidine-3-carboxylate
CID 66976940
N-(aminomethyl)piperidine-4-carboxamide;ethane
CID 167467064

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-N-methoxypiperidine-4-carboxamide?
The IUPAC name of 3,3-difluoro-N-methoxypiperidine-4-carboxamide (CID 131047905) is 3,3-difluoro-N-methoxypiperidine-4-carboxamide.
What is the SMILES notation for 3,3-difluoro-N-methoxypiperidine-4-carboxamide?
The canonical SMILES for 3,3-difluoro-N-methoxypiperidine-4-carboxamide is CONC(=O)C1CCNCC1(F)F.
What is the InChIKey of 3,3-difluoro-N-methoxypiperidine-4-carboxamide?
The InChIKey is PZXAIIHGPVRHPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2N2O2/c1-13-11-6(12)5-2-3-10-4-7(5,8)9/h5,10H,2-4H2,1H3,(H,11,12).
What are the key properties of 3,3-difluoro-N-methoxypiperidine-4-carboxamide?
3,3-difluoro-N-methoxypiperidine-4-carboxamide has a molecular weight of 194.18 g/mol, XLogP of -0.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N-methoxypiperidine-4-carboxamide is sourced from PubChem (CID 131047905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).