5,5-difluoro-N-[(1-methylpiperidin-4-yl)methyl]piperidine-3-carboxamide

C13H23F2N3O — CID 140792842

IUPAC5,5-difluoro-N-[(1-methylpiperidin-4-yl)methyl]piperidine-3-carboxamide
SMILESCN1CCC(CNC(=O)C2CNCC(F)(F)C2)CC1
InChIInChI=1S/C13H23F2N3O/c1-18-4-2-10(3-5-18)7-17-12(19)11-6-13(14,15)9-16-8-11/h10-11,16H,2-9H2,1H3,(H,17,19)
InChIKeyJXJPIVZTEDAEHV-UHFFFAOYSA-N
MW275.34 g/mol
LogP0.69
Rot. Bonds3

About 5,5-difluoro-N-[(1-methylpiperidin-4-yl)methyl]piperidine-3-carboxamide

5,5-difluoro-N-[(1-methylpiperidin-4-yl)methyl]piperidine-3-carboxamide (PubChem CID 140792842) has the molecular formula C13H23F2N3O and a molecular weight of 275.34 g/mol. Its IUPAC name is 5,5-difluoro-N-[(1-methylpiperidin-4-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name5,5-difluoro-N-[(1-methylpiperidin-4-yl)methyl]piperidine-3-carboxamide
PubChem CID140792842
Molecular FormulaC13H23F2N3O
Molecular Weight275.34 g/mol
Exact Mass275.18
IUPAC Name5,5-difluoro-N-[(1-methylpiperidin-4-yl)methyl]piperidine-3-carboxamide
SMILESCN1CCC(CNC(=O)C2CNCC(F)(F)C2)CC1
InChIInChI=1S/C13H23F2N3O/c1-18-4-2-10(3-5-18)7-17-12(19)11-6-13(14,15)9-16-8-11/h10-11,16H,2-9H2,1H3,(H,17,19)
InChIKeyJXJPIVZTEDAEHV-UHFFFAOYSA-N
XLogP0.69
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,5-difluoro-N-[(1-methylpiperidin-4-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of 5,5-difluoro-N-[(1-methylpiperidin-4-yl)methyl]piperidine-3-carboxamide (CID 140792842) is 5,5-difluoro-N-[(1-methylpiperidin-4-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 5,5-difluoro-N-[(1-methylpiperidin-4-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 5,5-difluoro-N-[(1-methylpiperidin-4-yl)methyl]piperidine-3-carboxamide is CN1CCC(CNC(=O)C2CNCC(F)(F)C2)CC1.
What is the InChIKey of 5,5-difluoro-N-[(1-methylpiperidin-4-yl)methyl]piperidine-3-carboxamide?
The InChIKey is JXJPIVZTEDAEHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F2N3O/c1-18-4-2-10(3-5-18)7-17-12(19)11-6-13(14,15)9-16-8-11/h10-11,16H,2-9H2,1H3,(H,17,19).
What are the key properties of 5,5-difluoro-N-[(1-methylpiperidin-4-yl)methyl]piperidine-3-carboxamide?
5,5-difluoro-N-[(1-methylpiperidin-4-yl)methyl]piperidine-3-carboxamide has a molecular weight of 275.34 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoro-N-[(1-methylpiperidin-4-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 140792842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).