3,3,3-trifluoro-N-(1-propylpiperidin-4-yl)propanamide

C11H19F3N2O — CID 51079646

IUPAC3,3,3-trifluoro-N-(1-propylpiperidin-4-yl)propanamide
SMILESCCCN1CCC(NC(=O)CC(F)(F)F)CC1
InChIInChI=1S/C11H19F3N2O/c1-2-5-16-6-3-9(4-7-16)15-10(17)8-11(12,13)14/h9H,2-8H2,1H3,(H,15,17)
InChIKeyHGUAEXRGDORQAO-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.93
Rot. Bonds4

About 3,3,3-trifluoro-N-(1-propylpiperidin-4-yl)propanamide

3,3,3-trifluoro-N-(1-propylpiperidin-4-yl)propanamide (PubChem CID 51079646) has the molecular formula C11H19F3N2O and a molecular weight of 252.28 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-(1-propylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-(1-propylpiperidin-4-yl)propanamide
PubChem CID51079646
Molecular FormulaC11H19F3N2O
Molecular Weight252.28 g/mol
Exact Mass252.14
IUPAC Name3,3,3-trifluoro-N-(1-propylpiperidin-4-yl)propanamide
SMILESCCCN1CCC(NC(=O)CC(F)(F)F)CC1
InChIInChI=1S/C11H19F3N2O/c1-2-5-16-6-3-9(4-7-16)15-10(17)8-11(12,13)14/h9H,2-8H2,1H3,(H,15,17)
InChIKeyHGUAEXRGDORQAO-UHFFFAOYSA-N
XLogP1.93
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-(1-propylpiperidin-4-yl)propanamide?
The IUPAC name of 3,3,3-trifluoro-N-(1-propylpiperidin-4-yl)propanamide (CID 51079646) is 3,3,3-trifluoro-N-(1-propylpiperidin-4-yl)propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-(1-propylpiperidin-4-yl)propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-(1-propylpiperidin-4-yl)propanamide is CCCN1CCC(NC(=O)CC(F)(F)F)CC1.
What is the InChIKey of 3,3,3-trifluoro-N-(1-propylpiperidin-4-yl)propanamide?
The InChIKey is HGUAEXRGDORQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O/c1-2-5-16-6-3-9(4-7-16)15-10(17)8-11(12,13)14/h9H,2-8H2,1H3,(H,15,17).
What are the key properties of 3,3,3-trifluoro-N-(1-propylpiperidin-4-yl)propanamide?
3,3,3-trifluoro-N-(1-propylpiperidin-4-yl)propanamide has a molecular weight of 252.28 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-(1-propylpiperidin-4-yl)propanamide is sourced from PubChem (CID 51079646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).