3,3,3-trifluoro-N-(piperidin-3-ylmethyl)propanamide;hydrochloride

C9H16ClF3N2O — CID 119031062

IUPAC3,3,3-trifluoro-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
SMILESCl.O=C(CC(F)(F)F)NCC1CCCNC1
InChIInChI=1S/C9H15F3N2O.ClH/c10-9(11,12)4-8(15)14-6-7-2-1-3-13-5-7;/h7,13H,1-6H2,(H,14,15);1H
InChIKeySGPBZJUZZCLNAO-UHFFFAOYSA-N
MW260.69 g/mol
LogP1.48
Rot. Bonds3

About 3,3,3-trifluoro-N-(piperidin-3-ylmethyl)propanamide;hydrochloride

3,3,3-trifluoro-N-(piperidin-3-ylmethyl)propanamide;hydrochloride (PubChem CID 119031062) has the molecular formula C9H16ClF3N2O and a molecular weight of 260.69 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-(piperidin-3-ylmethyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3,3,3-trifluoro-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
PubChem CID119031062
Molecular FormulaC9H16ClF3N2O
Molecular Weight260.69 g/mol
Exact Mass260.09
IUPAC Name3,3,3-trifluoro-N-(piperidin-3-ylmethyl)propanamide;hydrochloride
SMILESCl.O=C(CC(F)(F)F)NCC1CCCNC1
InChIInChI=1S/C9H15F3N2O.ClH/c10-9(11,12)4-8(15)14-6-7-2-1-3-13-5-7;/h7,13H,1-6H2,(H,14,15);1H
InChIKeySGPBZJUZZCLNAO-UHFFFAOYSA-N
XLogP1.48
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.69
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3,3,3-trifluoro-N-(piperidin-3-ylmethyl)propanamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-(piperidin-3-ylmethyl)propanamide;hydrochloride?
The IUPAC name of 3,3,3-trifluoro-N-(piperidin-3-ylmethyl)propanamide;hydrochloride (CID 119031062) is 3,3,3-trifluoro-N-(piperidin-3-ylmethyl)propanamide;hydrochloride.
What is the SMILES notation for 3,3,3-trifluoro-N-(piperidin-3-ylmethyl)propanamide;hydrochloride?
The canonical SMILES for 3,3,3-trifluoro-N-(piperidin-3-ylmethyl)propanamide;hydrochloride is Cl.O=C(CC(F)(F)F)NCC1CCCNC1.
What is the InChIKey of 3,3,3-trifluoro-N-(piperidin-3-ylmethyl)propanamide;hydrochloride?
The InChIKey is SGPBZJUZZCLNAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O.ClH/c10-9(11,12)4-8(15)14-6-7-2-1-3-13-5-7;/h7,13H,1-6H2,(H,14,15);1H.
What are the key properties of 3,3,3-trifluoro-N-(piperidin-3-ylmethyl)propanamide;hydrochloride?
3,3,3-trifluoro-N-(piperidin-3-ylmethyl)propanamide;hydrochloride has a molecular weight of 260.69 g/mol, XLogP of 1.48, 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-N-(piperidin-3-ylmethyl)propanamide;hydrochloride is sourced from PubChem (CID 119031062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).