3,3,3-trifluoro-N-methyl-N-(piperidin-4-ylmethyl)propanamide

C10H17F3N2O — CID 79715088

IUPAC3,3,3-trifluoro-N-methyl-N-(piperidin-4-ylmethyl)propanamide
SMILESCN(CC1CCNCC1)C(=O)CC(F)(F)F
InChIInChI=1S/C10H17F3N2O/c1-15(9(16)6-10(11,12)13)7-8-2-4-14-5-3-8/h8,14H,2-7H2,1H3
InChIKeyGEOMCRRNDHRFDZ-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.40
Rot. Bonds3

About 3,3,3-trifluoro-N-methyl-N-(piperidin-4-ylmethyl)propanamide

3,3,3-trifluoro-N-methyl-N-(piperidin-4-ylmethyl)propanamide (PubChem CID 79715088) has the molecular formula C10H17F3N2O and a molecular weight of 238.25 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-methyl-N-(piperidin-4-ylmethyl)propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-methyl-N-(piperidin-4-ylmethyl)propanamide
PubChem CID79715088
Molecular FormulaC10H17F3N2O
Molecular Weight238.25 g/mol
Exact Mass238.13
IUPAC Name3,3,3-trifluoro-N-methyl-N-(piperidin-4-ylmethyl)propanamide
SMILESCN(CC1CCNCC1)C(=O)CC(F)(F)F
InChIInChI=1S/C10H17F3N2O/c1-15(9(16)6-10(11,12)13)7-8-2-4-14-5-3-8/h8,14H,2-7H2,1H3
InChIKeyGEOMCRRNDHRFDZ-UHFFFAOYSA-N
XLogP1.40
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 ≤ 51.40
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-methyl-N-(piperidin-4-ylmethyl)propanamide?
The IUPAC name of 3,3,3-trifluoro-N-methyl-N-(piperidin-4-ylmethyl)propanamide (CID 79715088) is 3,3,3-trifluoro-N-methyl-N-(piperidin-4-ylmethyl)propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-methyl-N-(piperidin-4-ylmethyl)propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-methyl-N-(piperidin-4-ylmethyl)propanamide is CN(CC1CCNCC1)C(=O)CC(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N-methyl-N-(piperidin-4-ylmethyl)propanamide?
The InChIKey is GEOMCRRNDHRFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O/c1-15(9(16)6-10(11,12)13)7-8-2-4-14-5-3-8/h8,14H,2-7H2,1H3.
What are the key properties of 3,3,3-trifluoro-N-methyl-N-(piperidin-4-ylmethyl)propanamide?
3,3,3-trifluoro-N-methyl-N-(piperidin-4-ylmethyl)propanamide has a molecular weight of 238.25 g/mol, XLogP of 1.40, 3 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-methyl-N-(piperidin-4-ylmethyl)propanamide is sourced from PubChem (CID 79715088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).