2,2,2-trifluoro-N-[1-(3-phenylpropanoyl)piperidin-4-yl]acetamide

C16H19F3N2O2 — CID 108548737

IUPAC2,2,2-trifluoro-N-[1-(3-phenylpropanoyl)piperidin-4-yl]acetamide
SMILESO=C(CCc1ccccc1)N1CCC(NC(=O)C(F)(F)F)CC1
InChIInChI=1S/C16H19F3N2O2/c17-16(18,19)15(23)20-13-8-10-21(11-9-13)14(22)7-6-12-4-2-1-3-5-12/h1-5,13H,6-11H2,(H,20,23)
InChIKeyXRYHTLMMNUYHOQ-UHFFFAOYSA-N
MW328.33 g/mol
LogP2.29
Rot. Bonds4

About 2,2,2-trifluoro-N-[1-(3-phenylpropanoyl)piperidin-4-yl]acetamide

2,2,2-trifluoro-N-[1-(3-phenylpropanoyl)piperidin-4-yl]acetamide (PubChem CID 108548737) has the molecular formula C16H19F3N2O2 and a molecular weight of 328.33 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[1-(3-phenylpropanoyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[1-(3-phenylpropanoyl)piperidin-4-yl]acetamide
PubChem CID108548737
Molecular FormulaC16H19F3N2O2
Molecular Weight328.33 g/mol
Exact Mass328.14
IUPAC Name2,2,2-trifluoro-N-[1-(3-phenylpropanoyl)piperidin-4-yl]acetamide
SMILESO=C(CCc1ccccc1)N1CCC(NC(=O)C(F)(F)F)CC1
InChIInChI=1S/C16H19F3N2O2/c17-16(18,19)15(23)20-13-8-10-21(11-9-13)14(22)7-6-12-4-2-1-3-5-12/h1-5,13H,6-11H2,(H,20,23)
InChIKeyXRYHTLMMNUYHOQ-UHFFFAOYSA-N
XLogP2.29
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 ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-trifluoro-N-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]acetamide
CID 108933023
N-[1-(3-phenylpropanoyl)piperidin-4-yl]cyclopropanecarboxamide
CID 110820836
N-[1-(3-phenylpropanoyl)piperidin-4-yl]prop-2-enamide
CID 166406035
(2R)-2-amino-N-[1-(3-phenylpropanoyl)piperidin-4-yl]propanamide
CID 119295787
N-[1-(3-chloropropanoyl)piperidin-4-yl]-3-phenylpropanamide
CID 108561867
1-amino-N-[1-(3-phenylpropanoyl)piperidin-4-yl]cyclopentane-1-carboxamide
CID 119295785
N-[1-[4-(1,3-dioxoisoindol-2-yl)butanoyl]piperidin-4-yl]-2,2,2-trifluoroacetamide
CID 108548744
N-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-2,2,2-trifluoroacetamide
CID 108932983
1-[3-(methylamino)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 81425109
N-[1-(3-phenylpropanoyl)piperidin-4-yl]naphthalene-1-carboxamide
CID 108554058
2-chloroethyl N-[1-(3-phenylpropanoyl)piperidin-4-yl]carbamate
CID 108566100
5-oxo-N-[1-(3-phenylpropanoyl)piperidin-4-yl]pyrrolidine-2-carboxamide
CID 110820856

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[1-(3-phenylpropanoyl)piperidin-4-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[1-(3-phenylpropanoyl)piperidin-4-yl]acetamide (CID 108548737) is 2,2,2-trifluoro-N-[1-(3-phenylpropanoyl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[1-(3-phenylpropanoyl)piperidin-4-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[1-(3-phenylpropanoyl)piperidin-4-yl]acetamide is O=C(CCc1ccccc1)N1CCC(NC(=O)C(F)(F)F)CC1.
What is the InChIKey of 2,2,2-trifluoro-N-[1-(3-phenylpropanoyl)piperidin-4-yl]acetamide?
The InChIKey is XRYHTLMMNUYHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N2O2/c17-16(18,19)15(23)20-13-8-10-21(11-9-13)14(22)7-6-12-4-2-1-3-5-12/h1-5,13H,6-11H2,(H,20,23).
What are the key properties of 2,2,2-trifluoro-N-[1-(3-phenylpropanoyl)piperidin-4-yl]acetamide?
2,2,2-trifluoro-N-[1-(3-phenylpropanoyl)piperidin-4-yl]acetamide has a molecular weight of 328.33 g/mol, XLogP of 2.29, 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-[1-(3-phenylpropanoyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 108548737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).