4,4-difluoro-N-(2-methylpiperidin-4-yl)cyclohexane-1-carboxamide

C13H22F2N2O — CID 106995432

IUPAC4,4-difluoro-N-(2-methylpiperidin-4-yl)cyclohexane-1-carboxamide
SMILESCC1CC(NC(=O)C2CCC(F)(F)CC2)CCN1
InChIInChI=1S/C13H22F2N2O/c1-9-8-11(4-7-16-9)17-12(18)10-2-5-13(14,15)6-3-10/h9-11,16H,2-8H2,1H3,(H,17,18)
InChIKeyGULUOUDTBAXQBY-UHFFFAOYSA-N
MW260.33 g/mol
LogP2.07
Rot. Bonds2

About 4,4-difluoro-N-(2-methylpiperidin-4-yl)cyclohexane-1-carboxamide

4,4-difluoro-N-(2-methylpiperidin-4-yl)cyclohexane-1-carboxamide (PubChem CID 106995432) has the molecular formula C13H22F2N2O and a molecular weight of 260.33 g/mol. Its IUPAC name is 4,4-difluoro-N-(2-methylpiperidin-4-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4,4-difluoro-N-(2-methylpiperidin-4-yl)cyclohexane-1-carboxamide
PubChem CID106995432
Molecular FormulaC13H22F2N2O
Molecular Weight260.33 g/mol
Exact Mass260.17
IUPAC Name4,4-difluoro-N-(2-methylpiperidin-4-yl)cyclohexane-1-carboxamide
SMILESCC1CC(NC(=O)C2CCC(F)(F)CC2)CCN1
InChIInChI=1S/C13H22F2N2O/c1-9-8-11(4-7-16-9)17-12(18)10-2-5-13(14,15)6-3-10/h9-11,16H,2-8H2,1H3,(H,17,18)
InChIKeyGULUOUDTBAXQBY-UHFFFAOYSA-N
XLogP2.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.33
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-N-(2-methylpiperidin-4-yl)cyclohexane-1-carboxamide?
The IUPAC name of 4,4-difluoro-N-(2-methylpiperidin-4-yl)cyclohexane-1-carboxamide (CID 106995432) is 4,4-difluoro-N-(2-methylpiperidin-4-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4,4-difluoro-N-(2-methylpiperidin-4-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 4,4-difluoro-N-(2-methylpiperidin-4-yl)cyclohexane-1-carboxamide is CC1CC(NC(=O)C2CCC(F)(F)CC2)CCN1.
What is the InChIKey of 4,4-difluoro-N-(2-methylpiperidin-4-yl)cyclohexane-1-carboxamide?
The InChIKey is GULUOUDTBAXQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F2N2O/c1-9-8-11(4-7-16-9)17-12(18)10-2-5-13(14,15)6-3-10/h9-11,16H,2-8H2,1H3,(H,17,18).
What are the key properties of 4,4-difluoro-N-(2-methylpiperidin-4-yl)cyclohexane-1-carboxamide?
4,4-difluoro-N-(2-methylpiperidin-4-yl)cyclohexane-1-carboxamide has a molecular weight of 260.33 g/mol, XLogP of 2.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-N-(2-methylpiperidin-4-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 106995432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).