2-(3-hydroxypiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide

C14H17F3N2O2 — CID 42913569

IUPAC2-(3-hydroxypiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CN1CCCC(O)C1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H17F3N2O2/c15-14(16,17)10-3-5-11(6-4-10)18-13(21)9-19-7-1-2-12(20)8-19/h3-6,12,20H,1-2,7-9H2,(H,18,21)
InChIKeyQXGFQTVBFXCOPR-UHFFFAOYSA-N
MW302.30 g/mol
LogP2.10
Rot. Bonds3

About 2-(3-hydroxypiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide

2-(3-hydroxypiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 42913569) has the molecular formula C14H17F3N2O2 and a molecular weight of 302.30 g/mol. Its IUPAC name is 2-(3-hydroxypiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-hydroxypiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID42913569
Molecular FormulaC14H17F3N2O2
Molecular Weight302.30 g/mol
Exact Mass302.12
IUPAC Name2-(3-hydroxypiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CN1CCCC(O)C1)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H17F3N2O2/c15-14(16,17)10-3-5-11(6-4-10)18-13(21)9-19-7-1-2-12(20)8-19/h3-6,12,20H,1-2,7-9H2,(H,18,21)
InChIKeyQXGFQTVBFXCOPR-UHFFFAOYSA-N
XLogP2.10
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(3-hydroxypiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide (CID 42913569) is 2-(3-hydroxypiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(3-hydroxypiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(3-hydroxypiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide is O=C(CN1CCCC(O)C1)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-(3-hydroxypiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is QXGFQTVBFXCOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O2/c15-14(16,17)10-3-5-11(6-4-10)18-13(21)9-19-7-1-2-12(20)8-19/h3-6,12,20H,1-2,7-9H2,(H,18,21).
What are the key properties of 2-(3-hydroxypiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide?
2-(3-hydroxypiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 302.30 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 42913569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).