2,2,2-trifluoro-N-(1-propylpiperidin-4-yl)acetamide

C10H17F3N2O — CID 60707591

IUPAC2,2,2-trifluoro-N-(1-propylpiperidin-4-yl)acetamide
SMILESCCCN1CCC(NC(=O)C(F)(F)F)CC1
InChIInChI=1S/C10H17F3N2O/c1-2-5-15-6-3-8(4-7-15)14-9(16)10(11,12)13/h8H,2-7H2,1H3,(H,14,16)
InChIKeyFCGXPAXDCVJISY-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.54
Rot. Bonds3

About 2,2,2-trifluoro-N-(1-propylpiperidin-4-yl)acetamide

2,2,2-trifluoro-N-(1-propylpiperidin-4-yl)acetamide (PubChem CID 60707591) has the molecular formula C10H17F3N2O and a molecular weight of 238.25 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(1-propylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(1-propylpiperidin-4-yl)acetamide
PubChem CID60707591
Molecular FormulaC10H17F3N2O
Molecular Weight238.25 g/mol
Exact Mass238.13
IUPAC Name2,2,2-trifluoro-N-(1-propylpiperidin-4-yl)acetamide
SMILESCCCN1CCC(NC(=O)C(F)(F)F)CC1
InChIInChI=1S/C10H17F3N2O/c1-2-5-15-6-3-8(4-7-15)14-9(16)10(11,12)13/h8H,2-7H2,1H3,(H,14,16)
InChIKeyFCGXPAXDCVJISY-UHFFFAOYSA-N
XLogP1.54
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(1-propylpiperidin-4-yl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(1-propylpiperidin-4-yl)acetamide (CID 60707591) is 2,2,2-trifluoro-N-(1-propylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(1-propylpiperidin-4-yl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(1-propylpiperidin-4-yl)acetamide is CCCN1CCC(NC(=O)C(F)(F)F)CC1.
What is the InChIKey of 2,2,2-trifluoro-N-(1-propylpiperidin-4-yl)acetamide?
The InChIKey is FCGXPAXDCVJISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O/c1-2-5-15-6-3-8(4-7-15)14-9(16)10(11,12)13/h8H,2-7H2,1H3,(H,14,16).
What are the key properties of 2,2,2-trifluoro-N-(1-propylpiperidin-4-yl)acetamide?
2,2,2-trifluoro-N-(1-propylpiperidin-4-yl)acetamide has a molecular weight of 238.25 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(1-propylpiperidin-4-yl)acetamide is sourced from PubChem (CID 60707591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).