3,3,3-trifluoro-2-(piperidin-2-ylmethyl)propanamide

C9H15F3N2O — CID 69304356

IUPAC3,3,3-trifluoro-2-(piperidin-2-ylmethyl)propanamide
SMILESNC(=O)C(CC1CCCCN1)C(F)(F)F
InChIInChI=1S/C9H15F3N2O/c10-9(11,12)7(8(13)15)5-6-3-1-2-4-14-6/h6-7,14H,1-5H2,(H2,13,15)
InChIKeyOUBIVRFSRWQSFM-UHFFFAOYSA-N
MW224.23 g/mol
LogP1.18
Rot. Bonds3

About 3,3,3-trifluoro-2-(piperidin-2-ylmethyl)propanamide

3,3,3-trifluoro-2-(piperidin-2-ylmethyl)propanamide (PubChem CID 69304356) has the molecular formula C9H15F3N2O and a molecular weight of 224.23 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-(piperidin-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-2-(piperidin-2-ylmethyl)propanamide
PubChem CID69304356
Molecular FormulaC9H15F3N2O
Molecular Weight224.23 g/mol
Exact Mass224.11
IUPAC Name3,3,3-trifluoro-2-(piperidin-2-ylmethyl)propanamide
SMILESNC(=O)C(CC1CCCCN1)C(F)(F)F
InChIInChI=1S/C9H15F3N2O/c10-9(11,12)7(8(13)15)5-6-3-1-2-4-14-6/h6-7,14H,1-5H2,(H2,13,15)
InChIKeyOUBIVRFSRWQSFM-UHFFFAOYSA-N
XLogP1.18
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-(piperidin-2-ylmethyl)propanamide?
The IUPAC name of 3,3,3-trifluoro-2-(piperidin-2-ylmethyl)propanamide (CID 69304356) is 3,3,3-trifluoro-2-(piperidin-2-ylmethyl)propanamide.
What is the SMILES notation for 3,3,3-trifluoro-2-(piperidin-2-ylmethyl)propanamide?
The canonical SMILES for 3,3,3-trifluoro-2-(piperidin-2-ylmethyl)propanamide is NC(=O)C(CC1CCCCN1)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-(piperidin-2-ylmethyl)propanamide?
The InChIKey is OUBIVRFSRWQSFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O/c10-9(11,12)7(8(13)15)5-6-3-1-2-4-14-6/h6-7,14H,1-5H2,(H2,13,15).
What are the key properties of 3,3,3-trifluoro-2-(piperidin-2-ylmethyl)propanamide?
3,3,3-trifluoro-2-(piperidin-2-ylmethyl)propanamide has a molecular weight of 224.23 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-(piperidin-2-ylmethyl)propanamide is sourced from PubChem (CID 69304356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).