2-[(2R)-2-[4-(trifluoromethyl)phenyl]piperidin-1-yl]acetamide

C14H17F3N2O — CID 94819890

IUPAC2-[(2R)-2-[4-(trifluoromethyl)phenyl]piperidin-1-yl]acetamide
SMILESNC(=O)CN1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H17F3N2O/c15-14(16,17)11-6-4-10(5-7-11)12-3-1-2-8-19(12)9-13(18)20/h4-7,12H,1-3,8-9H2,(H2,18,20)/t12-/m1/s1
InChIKeyVYUXCTUJKBPAIE-GFCCVEGCSA-N
MW286.30 g/mol
LogP2.72
Rot. Bonds3

About 2-[(2R)-2-[4-(trifluoromethyl)phenyl]piperidin-1-yl]acetamide

2-[(2R)-2-[4-(trifluoromethyl)phenyl]piperidin-1-yl]acetamide (PubChem CID 94819890) has the molecular formula C14H17F3N2O and a molecular weight of 286.30 g/mol. Its IUPAC name is 2-[(2R)-2-[4-(trifluoromethyl)phenyl]piperidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[(2R)-2-[4-(trifluoromethyl)phenyl]piperidin-1-yl]acetamide
PubChem CID94819890
Molecular FormulaC14H17F3N2O
Molecular Weight286.30 g/mol
Exact Mass286.13
IUPAC Name2-[(2R)-2-[4-(trifluoromethyl)phenyl]piperidin-1-yl]acetamide
SMILESNC(=O)CN1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H17F3N2O/c15-14(16,17)11-6-4-10(5-7-11)12-3-1-2-8-19(12)9-13(18)20/h4-7,12H,1-3,8-9H2,(H2,18,20)/t12-/m1/s1
InChIKeyVYUXCTUJKBPAIE-GFCCVEGCSA-N
XLogP2.72
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-[4-(trifluoromethyl)phenyl]piperidin-1-yl]acetamide?
The IUPAC name of 2-[(2R)-2-[4-(trifluoromethyl)phenyl]piperidin-1-yl]acetamide (CID 94819890) is 2-[(2R)-2-[4-(trifluoromethyl)phenyl]piperidin-1-yl]acetamide.
What is the SMILES notation for 2-[(2R)-2-[4-(trifluoromethyl)phenyl]piperidin-1-yl]acetamide?
The canonical SMILES for 2-[(2R)-2-[4-(trifluoromethyl)phenyl]piperidin-1-yl]acetamide is NC(=O)CN1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[(2R)-2-[4-(trifluoromethyl)phenyl]piperidin-1-yl]acetamide?
The InChIKey is VYUXCTUJKBPAIE-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H17F3N2O/c15-14(16,17)11-6-4-10(5-7-11)12-3-1-2-8-19(12)9-13(18)20/h4-7,12H,1-3,8-9H2,(H2,18,20)/t12-/m1/s1.
What are the key properties of 2-[(2R)-2-[4-(trifluoromethyl)phenyl]piperidin-1-yl]acetamide?
2-[(2R)-2-[4-(trifluoromethyl)phenyl]piperidin-1-yl]acetamide has a molecular weight of 286.30 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-[4-(trifluoromethyl)phenyl]piperidin-1-yl]acetamide is sourced from PubChem (CID 94819890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).