1-[2-(2-chloro-4-fluorophenoxy)acetyl]piperidine-4-carboxamide

C14H16ClFN2O3 — CID 30504708

IUPAC1-[2-(2-chloro-4-fluorophenoxy)acetyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)COc2ccc(F)cc2Cl)CC1
InChIInChI=1S/C14H16ClFN2O3/c15-11-7-10(16)1-2-12(11)21-8-13(19)18-5-3-9(4-6-18)14(17)20/h1-2,7,9H,3-6,8H2,(H2,17,20)
InChIKeyXSNDJEPUQYPPMO-UHFFFAOYSA-N
MW314.74 g/mol
LogP1.58
Rot. Bonds4

About 1-[2-(2-chloro-4-fluorophenoxy)acetyl]piperidine-4-carboxamide

1-[2-(2-chloro-4-fluorophenoxy)acetyl]piperidine-4-carboxamide (PubChem CID 30504708) has the molecular formula C14H16ClFN2O3 and a molecular weight of 314.74 g/mol. Its IUPAC name is 1-[2-(2-chloro-4-fluorophenoxy)acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(2-chloro-4-fluorophenoxy)acetyl]piperidine-4-carboxamide
PubChem CID30504708
Molecular FormulaC14H16ClFN2O3
Molecular Weight314.74 g/mol
Exact Mass314.08
IUPAC Name1-[2-(2-chloro-4-fluorophenoxy)acetyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)COc2ccc(F)cc2Cl)CC1
InChIInChI=1S/C14H16ClFN2O3/c15-11-7-10(16)1-2-12(11)21-8-13(19)18-5-3-9(4-6-18)14(17)20/h1-2,7,9H,3-6,8H2,(H2,17,20)
InChIKeyXSNDJEPUQYPPMO-UHFFFAOYSA-N
XLogP1.58
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.74
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-(2-chloro-4-fluorophenoxy)acetyl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-chloro-4-fluorophenoxy)-1-(4-hydroxypiperidin-1-yl)ethanone
CID 39389860
[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 2-(2-bromo-4-fluorophenoxy)acetate
CID 8525807
2-(2-chloro-4-fluorophenoxy)-1-morpholin-4-ylethanone
CID 17190853
1-[2-(5-fluoro-2-nitrophenoxy)acetyl]piperidine-4-carboxamide
CID 8873562
2-(2-chloro-4-fluorophenoxy)-1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanone
CID 119634926
2-(2-chloro-4-fluorophenoxy)-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone
CID 120997520
1-[2-[2-chloro-4-(propan-2-ylsulfamoyl)phenoxy]acetyl]piperidine-4-carboxamide
CID 126383545
2-(2-chloro-4-fluorophenoxy)-1-(2-methylpiperidin-1-yl)ethanone
CID 78767331
(3S)-1-[2-(2-bromo-4-fluorophenoxy)acetyl]piperidine-3-carboxamide
CID 9406362
3-[1-[2-(2-chloro-4-fluorophenoxy)acetyl]piperidin-4-yl]-4-ethyl-1H-1,2,4-triazol-5-one
CID 136518795
2-(2-chloro-4-fluorophenoxy)-1-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]ethanone
CID 9166982
1-[2-(2-phenylmethoxyphenoxy)acetyl]piperidine-4-carboxamide
CID 119125469

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chloro-4-fluorophenoxy)acetyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(2-chloro-4-fluorophenoxy)acetyl]piperidine-4-carboxamide (CID 30504708) is 1-[2-(2-chloro-4-fluorophenoxy)acetyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(2-chloro-4-fluorophenoxy)acetyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(2-chloro-4-fluorophenoxy)acetyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)COc2ccc(F)cc2Cl)CC1.
What is the InChIKey of 1-[2-(2-chloro-4-fluorophenoxy)acetyl]piperidine-4-carboxamide?
The InChIKey is XSNDJEPUQYPPMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFN2O3/c15-11-7-10(16)1-2-12(11)21-8-13(19)18-5-3-9(4-6-18)14(17)20/h1-2,7,9H,3-6,8H2,(H2,17,20).
What are the key properties of 1-[2-(2-chloro-4-fluorophenoxy)acetyl]piperidine-4-carboxamide?
1-[2-(2-chloro-4-fluorophenoxy)acetyl]piperidine-4-carboxamide has a molecular weight of 314.74 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chloro-4-fluorophenoxy)acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 30504708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).