N-[[(2S)-piperidin-2-yl]methyl]-N-(trifluoromethyl)acetamide

C9H15F3N2O — CID 97170855

IUPACN-[[(2S)-piperidin-2-yl]methyl]-N-(trifluoromethyl)acetamide
SMILESCC(=O)N(C[C@@H]1CCCCN1)C(F)(F)F
InChIInChI=1S/C9H15F3N2O/c1-7(15)14(9(10,11)12)6-8-4-2-3-5-13-8/h8,13H,2-6H2,1H3/t8-/m0/s1
InChIKeyAMGWYACZPKEDMR-QMMMGPOBSA-N
MW224.23 g/mol
LogP1.50
Rot. Bonds2

About N-[[(2S)-piperidin-2-yl]methyl]-N-(trifluoromethyl)acetamide

N-[[(2S)-piperidin-2-yl]methyl]-N-(trifluoromethyl)acetamide (PubChem CID 97170855) has the molecular formula C9H15F3N2O and a molecular weight of 224.23 g/mol. Its IUPAC name is N-[[(2S)-piperidin-2-yl]methyl]-N-(trifluoromethyl)acetamide.

Molecular Properties

Compound NameN-[[(2S)-piperidin-2-yl]methyl]-N-(trifluoromethyl)acetamide
PubChem CID97170855
Molecular FormulaC9H15F3N2O
Molecular Weight224.23 g/mol
Exact Mass224.11
IUPAC NameN-[[(2S)-piperidin-2-yl]methyl]-N-(trifluoromethyl)acetamide
SMILESCC(=O)N(C[C@@H]1CCCCN1)C(F)(F)F
InChIInChI=1S/C9H15F3N2O/c1-7(15)14(9(10,11)12)6-8-4-2-3-5-13-8/h8,13H,2-6H2,1H3/t8-/m0/s1
InChIKeyAMGWYACZPKEDMR-QMMMGPOBSA-N
XLogP1.50
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-N-(piperidin-2-ylmethyl)acetamide
CID 66569474
benzyl N-[[(2R)-piperidin-2-yl]methyl]-N-(trifluoromethyl)carbamate
CID 97168559
N-(azepan-2-ylmethyl)-2,2,2-trifluoro-N-methylethanamine
CID 64570764
1-[(2R)-azepan-2-yl]propan-2-one
CID 97048950
2-methyl-N,N-bis(piperidin-2-ylmethyl)propan-2-amine
CID 5252100
tert-butyl N-cyclopropyl-N-[[(2S)-piperidin-2-yl]methyl]carbamate
CID 96555647
3-tert-butyl-1-methyl-1-(piperidin-2-ylmethyl)urea
CID 106629792
N-propyl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 106610345
2-[methyl(piperidin-2-ylmethyl)amino]propanoic acid
CID 106635281
N-methyl-N-(piperidin-2-ylmethyl)cycloheptanecarboxamide
CID 106627288
1-ethyl-1,3-dimethyl-3-(piperidin-2-ylmethyl)urea
CID 106629811
3-[methyl(piperidin-2-ylmethyl)amino]propanoic acid
CID 106635493

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-piperidin-2-yl]methyl]-N-(trifluoromethyl)acetamide?
The IUPAC name of N-[[(2S)-piperidin-2-yl]methyl]-N-(trifluoromethyl)acetamide (CID 97170855) is N-[[(2S)-piperidin-2-yl]methyl]-N-(trifluoromethyl)acetamide.
What is the SMILES notation for N-[[(2S)-piperidin-2-yl]methyl]-N-(trifluoromethyl)acetamide?
The canonical SMILES for N-[[(2S)-piperidin-2-yl]methyl]-N-(trifluoromethyl)acetamide is CC(=O)N(C[C@@H]1CCCCN1)C(F)(F)F.
What is the InChIKey of N-[[(2S)-piperidin-2-yl]methyl]-N-(trifluoromethyl)acetamide?
The InChIKey is AMGWYACZPKEDMR-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H15F3N2O/c1-7(15)14(9(10,11)12)6-8-4-2-3-5-13-8/h8,13H,2-6H2,1H3/t8-/m0/s1.
What are the key properties of N-[[(2S)-piperidin-2-yl]methyl]-N-(trifluoromethyl)acetamide?
N-[[(2S)-piperidin-2-yl]methyl]-N-(trifluoromethyl)acetamide has a molecular weight of 224.23 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-piperidin-2-yl]methyl]-N-(trifluoromethyl)acetamide is sourced from PubChem (CID 97170855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).