N-(1-ethyl-3-fluoropiperidin-4-yl)acetamide

C9H17FN2O — CID 135063588

IUPACN-(1-ethyl-3-fluoropiperidin-4-yl)acetamide
SMILESCCN1CCC(NC(C)=O)C(F)C1
InChIInChI=1S/C9H17FN2O/c1-3-12-5-4-9(8(10)6-12)11-7(2)13/h8-9H,3-6H2,1-2H3,(H,11,13)
InChIKeyFXTJIDARLNTQKB-UHFFFAOYSA-N
MW188.25 g/mol
LogP0.55
Rot. Bonds2

About N-(1-ethyl-3-fluoropiperidin-4-yl)acetamide

N-(1-ethyl-3-fluoropiperidin-4-yl)acetamide (PubChem CID 135063588) has the molecular formula C9H17FN2O and a molecular weight of 188.25 g/mol. Its IUPAC name is N-(1-ethyl-3-fluoropiperidin-4-yl)acetamide.

Molecular Properties

Compound NameN-(1-ethyl-3-fluoropiperidin-4-yl)acetamide
PubChem CID135063588
Molecular FormulaC9H17FN2O
Molecular Weight188.25 g/mol
Exact Mass188.13
IUPAC NameN-(1-ethyl-3-fluoropiperidin-4-yl)acetamide
SMILESCCN1CCC(NC(C)=O)C(F)C1
InChIInChI=1S/C9H17FN2O/c1-3-12-5-4-9(8(10)6-12)11-7(2)13/h8-9H,3-6H2,1-2H3,(H,11,13)
InChIKeyFXTJIDARLNTQKB-UHFFFAOYSA-N
XLogP0.55
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 50.55
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-fluoropiperidin-4-yl)acetamide?
The IUPAC name of N-(1-ethyl-3-fluoropiperidin-4-yl)acetamide (CID 135063588) is N-(1-ethyl-3-fluoropiperidin-4-yl)acetamide.
What is the SMILES notation for N-(1-ethyl-3-fluoropiperidin-4-yl)acetamide?
The canonical SMILES for N-(1-ethyl-3-fluoropiperidin-4-yl)acetamide is CCN1CCC(NC(C)=O)C(F)C1.
What is the InChIKey of N-(1-ethyl-3-fluoropiperidin-4-yl)acetamide?
The InChIKey is FXTJIDARLNTQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FN2O/c1-3-12-5-4-9(8(10)6-12)11-7(2)13/h8-9H,3-6H2,1-2H3,(H,11,13).
What are the key properties of N-(1-ethyl-3-fluoropiperidin-4-yl)acetamide?
N-(1-ethyl-3-fluoropiperidin-4-yl)acetamide has a molecular weight of 188.25 g/mol, XLogP of 0.55, 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-fluoropiperidin-4-yl)acetamide is sourced from PubChem (CID 135063588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).