N-(4-cyano-1-methylpiperidin-4-yl)-2,2,3,3-tetrafluoropropanamide

C10H13F4N3O — CID 113251046

IUPACN-(4-cyano-1-methylpiperidin-4-yl)-2,2,3,3-tetrafluoropropanamide
SMILESCN1CCC(C#N)(NC(=O)C(F)(F)C(F)F)CC1
InChIInChI=1S/C10H13F4N3O/c1-17-4-2-9(6-15,3-5-17)16-8(18)10(13,14)7(11)12/h7H,2-5H2,1H3,(H,16,18)
InChIKeyHBENNXSJTRYCCA-UHFFFAOYSA-N
MW267.23 g/mol
LogP0.99
Rot. Bonds3

About N-(4-cyano-1-methylpiperidin-4-yl)-2,2,3,3-tetrafluoropropanamide

N-(4-cyano-1-methylpiperidin-4-yl)-2,2,3,3-tetrafluoropropanamide (PubChem CID 113251046) has the molecular formula C10H13F4N3O and a molecular weight of 267.23 g/mol. Its IUPAC name is N-(4-cyano-1-methylpiperidin-4-yl)-2,2,3,3-tetrafluoropropanamide.

Molecular Properties

Compound NameN-(4-cyano-1-methylpiperidin-4-yl)-2,2,3,3-tetrafluoropropanamide
PubChem CID113251046
Molecular FormulaC10H13F4N3O
Molecular Weight267.23 g/mol
Exact Mass267.10
IUPAC NameN-(4-cyano-1-methylpiperidin-4-yl)-2,2,3,3-tetrafluoropropanamide
SMILESCN1CCC(C#N)(NC(=O)C(F)(F)C(F)F)CC1
InChIInChI=1S/C10H13F4N3O/c1-17-4-2-9(6-15,3-5-17)16-8(18)10(13,14)7(11)12/h7H,2-5H2,1H3,(H,16,18)
InChIKeyHBENNXSJTRYCCA-UHFFFAOYSA-N
XLogP0.99
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.23
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1-methylpiperidin-4-yl)-2,2,3,3-tetrafluoropropanamide?
The IUPAC name of N-(4-cyano-1-methylpiperidin-4-yl)-2,2,3,3-tetrafluoropropanamide (CID 113251046) is N-(4-cyano-1-methylpiperidin-4-yl)-2,2,3,3-tetrafluoropropanamide.
What is the SMILES notation for N-(4-cyano-1-methylpiperidin-4-yl)-2,2,3,3-tetrafluoropropanamide?
The canonical SMILES for N-(4-cyano-1-methylpiperidin-4-yl)-2,2,3,3-tetrafluoropropanamide is CN1CCC(C#N)(NC(=O)C(F)(F)C(F)F)CC1.
What is the InChIKey of N-(4-cyano-1-methylpiperidin-4-yl)-2,2,3,3-tetrafluoropropanamide?
The InChIKey is HBENNXSJTRYCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F4N3O/c1-17-4-2-9(6-15,3-5-17)16-8(18)10(13,14)7(11)12/h7H,2-5H2,1H3,(H,16,18).
What are the key properties of N-(4-cyano-1-methylpiperidin-4-yl)-2,2,3,3-tetrafluoropropanamide?
N-(4-cyano-1-methylpiperidin-4-yl)-2,2,3,3-tetrafluoropropanamide has a molecular weight of 267.23 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1-methylpiperidin-4-yl)-2,2,3,3-tetrafluoropropanamide is sourced from PubChem (CID 113251046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).