2,2,2-trifluoro-N-(3-oxo-1-phenyl-3-piperidin-1-ylpropyl)acetamide

C16H19F3N2O2 — CID 51063364

IUPAC2,2,2-trifluoro-N-(3-oxo-1-phenyl-3-piperidin-1-ylpropyl)acetamide
SMILESO=C(CC(NC(=O)C(F)(F)F)c1ccccc1)N1CCCCC1
InChIInChI=1S/C16H19F3N2O2/c17-16(18,19)15(23)20-13(12-7-3-1-4-8-12)11-14(22)21-9-5-2-6-10-21/h1,3-4,7-8,13H,2,5-6,9-11H2,(H,20,23)
InChIKeyIXOKMQFVRKZPPO-UHFFFAOYSA-N
MW328.33 g/mol
LogP2.81
Rot. Bonds4

About 2,2,2-trifluoro-N-(3-oxo-1-phenyl-3-piperidin-1-ylpropyl)acetamide

2,2,2-trifluoro-N-(3-oxo-1-phenyl-3-piperidin-1-ylpropyl)acetamide (PubChem CID 51063364) has the molecular formula C16H19F3N2O2 and a molecular weight of 328.33 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(3-oxo-1-phenyl-3-piperidin-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(3-oxo-1-phenyl-3-piperidin-1-ylpropyl)acetamide
PubChem CID51063364
Molecular FormulaC16H19F3N2O2
Molecular Weight328.33 g/mol
Exact Mass328.14
IUPAC Name2,2,2-trifluoro-N-(3-oxo-1-phenyl-3-piperidin-1-ylpropyl)acetamide
SMILESO=C(CC(NC(=O)C(F)(F)F)c1ccccc1)N1CCCCC1
InChIInChI=1S/C16H19F3N2O2/c17-16(18,19)15(23)20-13(12-7-3-1-4-8-12)11-14(22)21-9-5-2-6-10-21/h1,3-4,7-8,13H,2,5-6,9-11H2,(H,20,23)
InChIKeyIXOKMQFVRKZPPO-UHFFFAOYSA-N
XLogP2.81
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-3-oxo-1-phenyl-3-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propyl]acetamide
CID 36940029
2,2,2-trifluoro-N-[(1R)-2-hydroxy-1-phenylethyl]acetamide
CID 15653812
N-[3-(4-methyl-1,4-diazepan-1-yl)-3-oxo-1-phenylpropyl]acetamide
CID 42904870
(3S)-1-(azepan-1-yl)-3-phenylbutan-1-one
CID 2164015
(3R)-1-[(3S)-3-acetamido-3-phenylpropanoyl]pyrrolidine-3-carboxylic acid
CID 124682101
N-[3-(4-methylpiperazin-1-yl)-3-oxo-1-phenylpropyl]acetamide
CID 78773774
2-(1-phenylpropylamino)-1-piperidin-1-ylethanone
CID 54845364
N-[3-[4-(methylamino)piperidin-1-yl]-3-oxo-1-phenylpropyl]acetamide;hydrochloride
CID 119561695
N-(2-hydroxy-1-phenylethyl)azepane-1-carboxamide
CID 112729485
2-chloro-N-[3-(4-cyclopentylpiperazin-1-yl)-3-oxo-1-phenylpropyl]benzamide
CID 55584115
N-(3-oxo-1-phenyl-3-piperazin-1-ylpropyl)benzamide
CID 119401596
N-[3-(4-aminopiperidin-1-yl)-3-oxo-1-phenylpropyl]benzamide;hydrochloride
CID 119374484

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(3-oxo-1-phenyl-3-piperidin-1-ylpropyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(3-oxo-1-phenyl-3-piperidin-1-ylpropyl)acetamide (CID 51063364) is 2,2,2-trifluoro-N-(3-oxo-1-phenyl-3-piperidin-1-ylpropyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(3-oxo-1-phenyl-3-piperidin-1-ylpropyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(3-oxo-1-phenyl-3-piperidin-1-ylpropyl)acetamide is O=C(CC(NC(=O)C(F)(F)F)c1ccccc1)N1CCCCC1.
What is the InChIKey of 2,2,2-trifluoro-N-(3-oxo-1-phenyl-3-piperidin-1-ylpropyl)acetamide?
The InChIKey is IXOKMQFVRKZPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N2O2/c17-16(18,19)15(23)20-13(12-7-3-1-4-8-12)11-14(22)21-9-5-2-6-10-21/h1,3-4,7-8,13H,2,5-6,9-11H2,(H,20,23).
What are the key properties of 2,2,2-trifluoro-N-(3-oxo-1-phenyl-3-piperidin-1-ylpropyl)acetamide?
2,2,2-trifluoro-N-(3-oxo-1-phenyl-3-piperidin-1-ylpropyl)acetamide has a molecular weight of 328.33 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(3-oxo-1-phenyl-3-piperidin-1-ylpropyl)acetamide is sourced from PubChem (CID 51063364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).