[3-(difluoromethoxy)thiophen-2-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone

C13H18F2N2O2S — CID 119547026

IUPAC[3-(difluoromethoxy)thiophen-2-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
SMILESCNCC1CCN(C(=O)c2sccc2OC(F)F)CC1
InChIInChI=1S/C13H18F2N2O2S/c1-16-8-9-2-5-17(6-3-9)12(18)11-10(4-7-20-11)19-13(14)15/h4,7,9,13,16H,2-3,5-6,8H2,1H3
InChIKeyDWDQHLPZIMQYBX-UHFFFAOYSA-N
MW304.36 g/mol
LogP2.42
Rot. Bonds5

About [3-(difluoromethoxy)thiophen-2-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone

[3-(difluoromethoxy)thiophen-2-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone (PubChem CID 119547026) has the molecular formula C13H18F2N2O2S and a molecular weight of 304.36 g/mol. Its IUPAC name is [3-(difluoromethoxy)thiophen-2-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[3-(difluoromethoxy)thiophen-2-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
PubChem CID119547026
Molecular FormulaC13H18F2N2O2S
Molecular Weight304.36 g/mol
Exact Mass304.11
IUPAC Name[3-(difluoromethoxy)thiophen-2-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
SMILESCNCC1CCN(C(=O)c2sccc2OC(F)F)CC1
InChIInChI=1S/C13H18F2N2O2S/c1-16-8-9-2-5-17(6-3-9)12(18)11-10(4-7-20-11)19-13(14)15/h4,7,9,13,16H,2-3,5-6,8H2,1H3
InChIKeyDWDQHLPZIMQYBX-UHFFFAOYSA-N
XLogP2.42
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-(difluoromethoxy)thiophen-2-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone with MolForge

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Related Compounds

[3-(difluoromethoxy)thiophen-2-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119398975
(3-methoxythiophen-2-yl)-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 124596275
[4-(difluoromethoxy)phenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63251080
(3-ethylthiophen-2-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 63263358
[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
[1-[3-(difluoromethoxy)thiophene-2-carbonyl]piperidin-3-yl] acetate
CID 75387914
[4-(chloromethyl)piperidin-1-yl]-(3-methoxythiophen-2-yl)methanone
CID 81129658
[4-(aminomethyl)piperidin-1-yl]-(3-methoxythiophen-2-yl)methanone
CID 81122977
[4-(difluoromethoxy)-3,5-dimethylphenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119546431
[4-(difluoromethoxy)-3,5-dimethylphenyl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119546430
[4-(ethylaminomethyl)piperidin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 80552627

Frequently Asked Questions

What is the IUPAC name of [3-(difluoromethoxy)thiophen-2-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone?
The IUPAC name of [3-(difluoromethoxy)thiophen-2-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone (CID 119547026) is [3-(difluoromethoxy)thiophen-2-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [3-(difluoromethoxy)thiophen-2-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone?
The canonical SMILES for [3-(difluoromethoxy)thiophen-2-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone is CNCC1CCN(C(=O)c2sccc2OC(F)F)CC1.
What is the InChIKey of [3-(difluoromethoxy)thiophen-2-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone?
The InChIKey is DWDQHLPZIMQYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O2S/c1-16-8-9-2-5-17(6-3-9)12(18)11-10(4-7-20-11)19-13(14)15/h4,7,9,13,16H,2-3,5-6,8H2,1H3.
What are the key properties of [3-(difluoromethoxy)thiophen-2-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone?
[3-(difluoromethoxy)thiophen-2-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone has a molecular weight of 304.36 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(difluoromethoxy)thiophen-2-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 119547026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).