N-[2-(4-hydroxy-1-methylpiperidin-4-yl)ethyl]-2-(2,3,4-trifluorophenyl)acetamide

C16H21F3N2O2 — CID 118773366

IUPACN-[2-(4-hydroxy-1-methylpiperidin-4-yl)ethyl]-2-(2,3,4-trifluorophenyl)acetamide
SMILESCN1CCC(O)(CCNC(=O)Cc2ccc(F)c(F)c2F)CC1
InChIInChI=1S/C16H21F3N2O2/c1-21-8-5-16(23,6-9-21)4-7-20-13(22)10-11-2-3-12(17)15(19)14(11)18/h2-3,23H,4-10H2,1H3,(H,20,22)
InChIKeyHTKRPBYZJDIUCQ-UHFFFAOYSA-N
MW330.35 g/mol
LogP1.61
Rot. Bonds5

About N-[2-(4-hydroxy-1-methylpiperidin-4-yl)ethyl]-2-(2,3,4-trifluorophenyl)acetamide

N-[2-(4-hydroxy-1-methylpiperidin-4-yl)ethyl]-2-(2,3,4-trifluorophenyl)acetamide (PubChem CID 118773366) has the molecular formula C16H21F3N2O2 and a molecular weight of 330.35 g/mol. Its IUPAC name is N-[2-(4-hydroxy-1-methylpiperidin-4-yl)ethyl]-2-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-(4-hydroxy-1-methylpiperidin-4-yl)ethyl]-2-(2,3,4-trifluorophenyl)acetamide
PubChem CID118773366
Molecular FormulaC16H21F3N2O2
Molecular Weight330.35 g/mol
Exact Mass330.16
IUPAC NameN-[2-(4-hydroxy-1-methylpiperidin-4-yl)ethyl]-2-(2,3,4-trifluorophenyl)acetamide
SMILESCN1CCC(O)(CCNC(=O)Cc2ccc(F)c(F)c2F)CC1
InChIInChI=1S/C16H21F3N2O2/c1-21-8-5-16(23,6-9-21)4-7-20-13(22)10-11-2-3-12(17)15(19)14(11)18/h2-3,23H,4-10H2,1H3,(H,20,22)
InChIKeyHTKRPBYZJDIUCQ-UHFFFAOYSA-N
XLogP1.61
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-hydroxy-1-methylpiperidin-4-yl)ethyl]-2-(2,3,4-trifluorophenyl)acetamide?
The IUPAC name of N-[2-(4-hydroxy-1-methylpiperidin-4-yl)ethyl]-2-(2,3,4-trifluorophenyl)acetamide (CID 118773366) is N-[2-(4-hydroxy-1-methylpiperidin-4-yl)ethyl]-2-(2,3,4-trifluorophenyl)acetamide.
What is the SMILES notation for N-[2-(4-hydroxy-1-methylpiperidin-4-yl)ethyl]-2-(2,3,4-trifluorophenyl)acetamide?
The canonical SMILES for N-[2-(4-hydroxy-1-methylpiperidin-4-yl)ethyl]-2-(2,3,4-trifluorophenyl)acetamide is CN1CCC(O)(CCNC(=O)Cc2ccc(F)c(F)c2F)CC1.
What is the InChIKey of N-[2-(4-hydroxy-1-methylpiperidin-4-yl)ethyl]-2-(2,3,4-trifluorophenyl)acetamide?
The InChIKey is HTKRPBYZJDIUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O2/c1-21-8-5-16(23,6-9-21)4-7-20-13(22)10-11-2-3-12(17)15(19)14(11)18/h2-3,23H,4-10H2,1H3,(H,20,22).
What are the key properties of N-[2-(4-hydroxy-1-methylpiperidin-4-yl)ethyl]-2-(2,3,4-trifluorophenyl)acetamide?
N-[2-(4-hydroxy-1-methylpiperidin-4-yl)ethyl]-2-(2,3,4-trifluorophenyl)acetamide has a molecular weight of 330.35 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-hydroxy-1-methylpiperidin-4-yl)ethyl]-2-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 118773366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).