N-(1-ethyl-3,3-difluoropiperidin-4-yl)acetamide

C9H16F2N2O — CID 139302400

IUPACN-(1-ethyl-3,3-difluoropiperidin-4-yl)acetamide
SMILESCCN1CCC(NC(C)=O)C(F)(F)C1
InChIInChI=1S/C9H16F2N2O/c1-3-13-5-4-8(12-7(2)14)9(10,11)6-13/h8H,3-6H2,1-2H3,(H,12,14)
InChIKeyUPKXJFLFSIGZRQ-UHFFFAOYSA-N
MW206.24 g/mol
LogP0.85
Rot. Bonds2

About N-(1-ethyl-3,3-difluoropiperidin-4-yl)acetamide

N-(1-ethyl-3,3-difluoropiperidin-4-yl)acetamide (PubChem CID 139302400) has the molecular formula C9H16F2N2O and a molecular weight of 206.24 g/mol. Its IUPAC name is N-(1-ethyl-3,3-difluoropiperidin-4-yl)acetamide.

Molecular Properties

Compound NameN-(1-ethyl-3,3-difluoropiperidin-4-yl)acetamide
PubChem CID139302400
Molecular FormulaC9H16F2N2O
Molecular Weight206.24 g/mol
Exact Mass206.12
IUPAC NameN-(1-ethyl-3,3-difluoropiperidin-4-yl)acetamide
SMILESCCN1CCC(NC(C)=O)C(F)(F)C1
InChIInChI=1S/C9H16F2N2O/c1-3-13-5-4-8(12-7(2)14)9(10,11)6-13/h8H,3-6H2,1-2H3,(H,12,14)
InChIKeyUPKXJFLFSIGZRQ-UHFFFAOYSA-N
XLogP0.85
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-3,3-difluoropiperidin-4-yl)acetamide?
The IUPAC name of N-(1-ethyl-3,3-difluoropiperidin-4-yl)acetamide (CID 139302400) is N-(1-ethyl-3,3-difluoropiperidin-4-yl)acetamide.
What is the SMILES notation for N-(1-ethyl-3,3-difluoropiperidin-4-yl)acetamide?
The canonical SMILES for N-(1-ethyl-3,3-difluoropiperidin-4-yl)acetamide is CCN1CCC(NC(C)=O)C(F)(F)C1.
What is the InChIKey of N-(1-ethyl-3,3-difluoropiperidin-4-yl)acetamide?
The InChIKey is UPKXJFLFSIGZRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2N2O/c1-3-13-5-4-8(12-7(2)14)9(10,11)6-13/h8H,3-6H2,1-2H3,(H,12,14).
What are the key properties of N-(1-ethyl-3,3-difluoropiperidin-4-yl)acetamide?
N-(1-ethyl-3,3-difluoropiperidin-4-yl)acetamide has a molecular weight of 206.24 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-3,3-difluoropiperidin-4-yl)acetamide is sourced from PubChem (CID 139302400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).