[2-(2-methylpiperidin-1-yl)-2-oxoethyl] 2-(difluoromethoxy)benzoate

C16H19F2NO4 — CID 55327333

IUPAC[2-(2-methylpiperidin-1-yl)-2-oxoethyl] 2-(difluoromethoxy)benzoate
SMILESCC1CCCCN1C(=O)COC(=O)c1ccccc1OC(F)F
InChIInChI=1S/C16H19F2NO4/c1-11-6-4-5-9-19(11)14(20)10-22-15(21)12-7-2-3-8-13(12)23-16(17)18/h2-3,7-8,11,16H,4-6,9-10H2,1H3
InChIKeyXCAYNSLGSKZPIG-UHFFFAOYSA-N
MW327.33 g/mol
LogP2.85
Rot. Bonds5

About [2-(2-methylpiperidin-1-yl)-2-oxoethyl] 2-(difluoromethoxy)benzoate

[2-(2-methylpiperidin-1-yl)-2-oxoethyl] 2-(difluoromethoxy)benzoate (PubChem CID 55327333) has the molecular formula C16H19F2NO4 and a molecular weight of 327.33 g/mol. Its IUPAC name is [2-(2-methylpiperidin-1-yl)-2-oxoethyl] 2-(difluoromethoxy)benzoate.

Molecular Properties

Compound Name[2-(2-methylpiperidin-1-yl)-2-oxoethyl] 2-(difluoromethoxy)benzoate
PubChem CID55327333
Molecular FormulaC16H19F2NO4
Molecular Weight327.33 g/mol
Exact Mass327.13
IUPAC Name[2-(2-methylpiperidin-1-yl)-2-oxoethyl] 2-(difluoromethoxy)benzoate
SMILESCC1CCCCN1C(=O)COC(=O)c1ccccc1OC(F)F
InChIInChI=1S/C16H19F2NO4/c1-11-6-4-5-9-19(11)14(20)10-22-15(21)12-7-2-3-8-13(12)23-16(17)18/h2-3,7-8,11,16H,4-6,9-10H2,1H3
InChIKeyXCAYNSLGSKZPIG-UHFFFAOYSA-N
XLogP2.85
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.33
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-(2-methylpiperidin-1-yl)-2-oxoethyl] 2-(difluoromethoxy)benzoate 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-methylpiperidin-1-yl)-2-oxoethyl] 2-(2-phenoxyethoxy)benzoate
CID 55317036
[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] naphthalene-1-carboxylate
CID 2558282
methyl 1-[2-[2-(difluoromethoxy)benzoyl]oxyacetyl]piperidine-4-carboxylate
CID 55327517
[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-anilinobenzoate
CID 7505878
[2-(2-methylpiperidin-1-yl)-2-oxoethyl] 2,3,4-trimethoxybenzoate
CID 16523934
[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-(methanesulfonamido)benzoate
CID 8015609
[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-(2-cyanophenyl)sulfanylbenzoate
CID 7832648
[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 1,4-dihydroxynaphthalene-2-carboxylate
CID 7228522
[2-[(2R)-2-carbamoylpiperidin-1-yl]-2-oxoethyl] 2-ethoxybenzoate
CID 9197434
N'-hydroxy-2-[2-(2-methylpiperidin-1-yl)-2-oxoethoxy]benzenecarboximidamide
CID 43332975
[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-chloroquinoline-4-carboxylate
CID 9009468
[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-[(4-chlorobenzoyl)amino]benzoate
CID 8537798

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylpiperidin-1-yl)-2-oxoethyl] 2-(difluoromethoxy)benzoate?
The IUPAC name of [2-(2-methylpiperidin-1-yl)-2-oxoethyl] 2-(difluoromethoxy)benzoate (CID 55327333) is [2-(2-methylpiperidin-1-yl)-2-oxoethyl] 2-(difluoromethoxy)benzoate.
What is the SMILES notation for [2-(2-methylpiperidin-1-yl)-2-oxoethyl] 2-(difluoromethoxy)benzoate?
The canonical SMILES for [2-(2-methylpiperidin-1-yl)-2-oxoethyl] 2-(difluoromethoxy)benzoate is CC1CCCCN1C(=O)COC(=O)c1ccccc1OC(F)F.
What is the InChIKey of [2-(2-methylpiperidin-1-yl)-2-oxoethyl] 2-(difluoromethoxy)benzoate?
The InChIKey is XCAYNSLGSKZPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2NO4/c1-11-6-4-5-9-19(11)14(20)10-22-15(21)12-7-2-3-8-13(12)23-16(17)18/h2-3,7-8,11,16H,4-6,9-10H2,1H3.
What are the key properties of [2-(2-methylpiperidin-1-yl)-2-oxoethyl] 2-(difluoromethoxy)benzoate?
[2-(2-methylpiperidin-1-yl)-2-oxoethyl] 2-(difluoromethoxy)benzoate has a molecular weight of 327.33 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylpiperidin-1-yl)-2-oxoethyl] 2-(difluoromethoxy)benzoate is sourced from PubChem (CID 55327333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).