N-(1,4-dimethylpiperidin-4-yl)-3,3,3-trifluoropropanamide

C10H17F3N2O — CID 134435194

IUPACN-(1,4-dimethylpiperidin-4-yl)-3,3,3-trifluoropropanamide
SMILESCN1CCC(C)(NC(=O)CC(F)(F)F)CC1
InChIInChI=1S/C10H17F3N2O/c1-9(3-5-15(2)6-4-9)14-8(16)7-10(11,12)13/h3-7H2,1-2H3,(H,14,16)
InChIKeyKFQRUPAQDLKYGT-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.54
Rot. Bonds2

About N-(1,4-dimethylpiperidin-4-yl)-3,3,3-trifluoropropanamide

N-(1,4-dimethylpiperidin-4-yl)-3,3,3-trifluoropropanamide (PubChem CID 134435194) has the molecular formula C10H17F3N2O and a molecular weight of 238.25 g/mol. Its IUPAC name is N-(1,4-dimethylpiperidin-4-yl)-3,3,3-trifluoropropanamide.

Molecular Properties

Compound NameN-(1,4-dimethylpiperidin-4-yl)-3,3,3-trifluoropropanamide
PubChem CID134435194
Molecular FormulaC10H17F3N2O
Molecular Weight238.25 g/mol
Exact Mass238.13
IUPAC NameN-(1,4-dimethylpiperidin-4-yl)-3,3,3-trifluoropropanamide
SMILESCN1CCC(C)(NC(=O)CC(F)(F)F)CC1
InChIInChI=1S/C10H17F3N2O/c1-9(3-5-15(2)6-4-9)14-8(16)7-10(11,12)13/h3-7H2,1-2H3,(H,14,16)
InChIKeyKFQRUPAQDLKYGT-UHFFFAOYSA-N
XLogP1.54
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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 N-(1,4-dimethylpiperidin-4-yl)-3,3,3-trifluoropropanamide?
The IUPAC name of N-(1,4-dimethylpiperidin-4-yl)-3,3,3-trifluoropropanamide (CID 134435194) is N-(1,4-dimethylpiperidin-4-yl)-3,3,3-trifluoropropanamide.
What is the SMILES notation for N-(1,4-dimethylpiperidin-4-yl)-3,3,3-trifluoropropanamide?
The canonical SMILES for N-(1,4-dimethylpiperidin-4-yl)-3,3,3-trifluoropropanamide is CN1CCC(C)(NC(=O)CC(F)(F)F)CC1.
What is the InChIKey of N-(1,4-dimethylpiperidin-4-yl)-3,3,3-trifluoropropanamide?
The InChIKey is KFQRUPAQDLKYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O/c1-9(3-5-15(2)6-4-9)14-8(16)7-10(11,12)13/h3-7H2,1-2H3,(H,14,16).
What are the key properties of N-(1,4-dimethylpiperidin-4-yl)-3,3,3-trifluoropropanamide?
N-(1,4-dimethylpiperidin-4-yl)-3,3,3-trifluoropropanamide has a molecular weight of 238.25 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dimethylpiperidin-4-yl)-3,3,3-trifluoropropanamide is sourced from PubChem (CID 134435194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).