N-(4-cyano-1-methylpiperidin-4-yl)-2,2-difluoroacetamide

C9H13F2N3O — CID 103513736

IUPACN-(4-cyano-1-methylpiperidin-4-yl)-2,2-difluoroacetamide
SMILESCN1CCC(C#N)(NC(=O)C(F)F)CC1
InChIInChI=1S/C9H13F2N3O/c1-14-4-2-9(6-12,3-5-14)13-8(15)7(10)11/h7H,2-5H2,1H3,(H,13,15)
InChIKeyFVCCWVFXANBMLW-UHFFFAOYSA-N
MW217.22 g/mol
LogP0.36
Rot. Bonds2

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

N-(4-cyano-1-methylpiperidin-4-yl)-2,2-difluoroacetamide (PubChem CID 103513736) has the molecular formula C9H13F2N3O and a molecular weight of 217.22 g/mol. Its IUPAC name is N-(4-cyano-1-methylpiperidin-4-yl)-2,2-difluoroacetamide.

Molecular Properties

Compound NameN-(4-cyano-1-methylpiperidin-4-yl)-2,2-difluoroacetamide
PubChem CID103513736
Molecular FormulaC9H13F2N3O
Molecular Weight217.22 g/mol
Exact Mass217.10
IUPAC NameN-(4-cyano-1-methylpiperidin-4-yl)-2,2-difluoroacetamide
SMILESCN1CCC(C#N)(NC(=O)C(F)F)CC1
InChIInChI=1S/C9H13F2N3O/c1-14-4-2-9(6-12,3-5-14)13-8(15)7(10)11/h7H,2-5H2,1H3,(H,13,15)
InChIKeyFVCCWVFXANBMLW-UHFFFAOYSA-N
XLogP0.36
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-1-methylpiperidin-4-yl)-2,2-difluoroacetamide?
The IUPAC name of N-(4-cyano-1-methylpiperidin-4-yl)-2,2-difluoroacetamide (CID 103513736) is N-(4-cyano-1-methylpiperidin-4-yl)-2,2-difluoroacetamide.
What is the SMILES notation for N-(4-cyano-1-methylpiperidin-4-yl)-2,2-difluoroacetamide?
The canonical SMILES for N-(4-cyano-1-methylpiperidin-4-yl)-2,2-difluoroacetamide is CN1CCC(C#N)(NC(=O)C(F)F)CC1.
What is the InChIKey of N-(4-cyano-1-methylpiperidin-4-yl)-2,2-difluoroacetamide?
The InChIKey is FVCCWVFXANBMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2N3O/c1-14-4-2-9(6-12,3-5-14)13-8(15)7(10)11/h7H,2-5H2,1H3,(H,13,15).
What are the key properties of N-(4-cyano-1-methylpiperidin-4-yl)-2,2-difluoroacetamide?
N-(4-cyano-1-methylpiperidin-4-yl)-2,2-difluoroacetamide has a molecular weight of 217.22 g/mol, XLogP of 0.36, 2 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-difluoroacetamide is sourced from PubChem (CID 103513736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).