[1-[3-(difluoromethoxy)thiophene-2-carbonyl]piperidin-3-yl] acetate

C13H15F2NO4S — CID 75387914

IUPAC[1-[3-(difluoromethoxy)thiophene-2-carbonyl]piperidin-3-yl] acetate
SMILESCC(=O)OC1CCCN(C(=O)c2sccc2OC(F)F)C1
InChIInChI=1S/C13H15F2NO4S/c1-8(17)19-9-3-2-5-16(7-9)12(18)11-10(4-6-21-11)20-13(14)15/h4,6,9,13H,2-3,5,7H2,1H3
InChIKeyAGFINOYPOUPIAP-UHFFFAOYSA-N
MW319.33 g/mol
LogP2.52
Rot. Bonds4

About [1-[3-(difluoromethoxy)thiophene-2-carbonyl]piperidin-3-yl] acetate

[1-[3-(difluoromethoxy)thiophene-2-carbonyl]piperidin-3-yl] acetate (PubChem CID 75387914) has the molecular formula C13H15F2NO4S and a molecular weight of 319.33 g/mol. Its IUPAC name is [1-[3-(difluoromethoxy)thiophene-2-carbonyl]piperidin-3-yl] acetate.

Molecular Properties

Compound Name[1-[3-(difluoromethoxy)thiophene-2-carbonyl]piperidin-3-yl] acetate
PubChem CID75387914
Molecular FormulaC13H15F2NO4S
Molecular Weight319.33 g/mol
Exact Mass319.07
IUPAC Name[1-[3-(difluoromethoxy)thiophene-2-carbonyl]piperidin-3-yl] acetate
SMILESCC(=O)OC1CCCN(C(=O)c2sccc2OC(F)F)C1
InChIInChI=1S/C13H15F2NO4S/c1-8(17)19-9-3-2-5-16(7-9)12(18)11-10(4-6-21-11)20-13(14)15/h4,6,9,13H,2-3,5,7H2,1H3
InChIKeyAGFINOYPOUPIAP-UHFFFAOYSA-N
XLogP2.52
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [1-[3-(difluoromethoxy)thiophene-2-carbonyl]piperidin-3-yl] acetate 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

[3-(difluoromethoxy)thiophen-2-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119398975
[3-(difluoromethoxy)thiophen-2-yl]-(3-methylpiperazin-1-yl)methanone
CID 119580886
[3-(difluoromethoxy)thiophen-2-yl]-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119580885
[3-(difluoromethoxy)thiophen-2-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119547026
[3-(2-bromoethyl)piperidin-1-yl]-(3-methoxythiophen-2-yl)methanone
CID 81129209
[2-(difluoromethoxy)phenyl]-[(3S)-3-propoxypiperidin-1-yl]methanone
CID 95179553
(3-methoxythiophen-2-yl)-(3-methyl-1,4-diazepan-1-yl)methanone
CID 82245290
N-[2-(cycloheptylamino)ethyl]-3-(difluoromethoxy)thiophene-2-carboxamide
CID 119621471
[3-(difluoromethylsulfonyl)thiophen-2-yl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119488818
(3-chloropiperidin-1-yl)-(3-ethylthiophen-2-yl)methanone
CID 79974966
methyl 1-(3-methoxythiophene-2-carbonyl)pyrrolidine-3-carboxylate
CID 78945614
[1-[4-chloro-3-(thiophene-2-carbonylamino)benzoyl]piperidin-3-yl] acetate
CID 75387916

Frequently Asked Questions

What is the IUPAC name of [1-[3-(difluoromethoxy)thiophene-2-carbonyl]piperidin-3-yl] acetate?
The IUPAC name of [1-[3-(difluoromethoxy)thiophene-2-carbonyl]piperidin-3-yl] acetate (CID 75387914) is [1-[3-(difluoromethoxy)thiophene-2-carbonyl]piperidin-3-yl] acetate.
What is the SMILES notation for [1-[3-(difluoromethoxy)thiophene-2-carbonyl]piperidin-3-yl] acetate?
The canonical SMILES for [1-[3-(difluoromethoxy)thiophene-2-carbonyl]piperidin-3-yl] acetate is CC(=O)OC1CCCN(C(=O)c2sccc2OC(F)F)C1.
What is the InChIKey of [1-[3-(difluoromethoxy)thiophene-2-carbonyl]piperidin-3-yl] acetate?
The InChIKey is AGFINOYPOUPIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO4S/c1-8(17)19-9-3-2-5-16(7-9)12(18)11-10(4-6-21-11)20-13(14)15/h4,6,9,13H,2-3,5,7H2,1H3.
What are the key properties of [1-[3-(difluoromethoxy)thiophene-2-carbonyl]piperidin-3-yl] acetate?
[1-[3-(difluoromethoxy)thiophene-2-carbonyl]piperidin-3-yl] acetate has a molecular weight of 319.33 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(difluoromethoxy)thiophene-2-carbonyl]piperidin-3-yl] acetate is sourced from PubChem (CID 75387914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).