[3-(difluoromethoxy)thiophen-2-yl]-(3-methylpiperazin-1-yl)methanone;hydrochloride

C11H15ClF2N2O2S — CID 119580885

IUPAC[3-(difluoromethoxy)thiophen-2-yl]-(3-methylpiperazin-1-yl)methanone;hydrochloride
SMILESCC1CN(C(=O)c2sccc2OC(F)F)CCN1.Cl
InChIInChI=1S/C11H14F2N2O2S.ClH/c1-7-6-15(4-3-14-7)10(16)9-8(2-5-18-9)17-11(12)13;/h2,5,7,11,14H,3-4,6H2,1H3;1H
InChIKeyVGSCPYHLLVYJPF-UHFFFAOYSA-N
MW312.77 g/mol
LogP2.21
Rot. Bonds3

About [3-(difluoromethoxy)thiophen-2-yl]-(3-methylpiperazin-1-yl)methanone;hydrochloride

[3-(difluoromethoxy)thiophen-2-yl]-(3-methylpiperazin-1-yl)methanone;hydrochloride (PubChem CID 119580885) has the molecular formula C11H15ClF2N2O2S and a molecular weight of 312.77 g/mol. Its IUPAC name is [3-(difluoromethoxy)thiophen-2-yl]-(3-methylpiperazin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[3-(difluoromethoxy)thiophen-2-yl]-(3-methylpiperazin-1-yl)methanone;hydrochloride
PubChem CID119580885
Molecular FormulaC11H15ClF2N2O2S
Molecular Weight312.77 g/mol
Exact Mass312.05
IUPAC Name[3-(difluoromethoxy)thiophen-2-yl]-(3-methylpiperazin-1-yl)methanone;hydrochloride
SMILESCC1CN(C(=O)c2sccc2OC(F)F)CCN1.Cl
InChIInChI=1S/C11H14F2N2O2S.ClH/c1-7-6-15(4-3-14-7)10(16)9-8(2-5-18-9)17-11(12)13;/h2,5,7,11,14H,3-4,6H2,1H3;1H
InChIKeyVGSCPYHLLVYJPF-UHFFFAOYSA-N
XLogP2.21
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.77
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(difluoromethoxy)thiophen-2-yl]-(3-methylpiperazin-1-yl)methanone
CID 119580886
[2-(difluoromethoxy)phenyl]-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119577090
[(3R)-3-methylpiperazin-1-yl]-(3-methylthiophen-2-yl)methanone
CID 81427148
(3-methoxythiophen-2-yl)-(3-methyl-1,4-diazepan-1-yl)methanone
CID 82245290
[1-[3-(difluoromethoxy)thiophene-2-carbonyl]piperidin-3-yl] acetate
CID 75387914
[3-(difluoromethoxy)thiophen-2-yl]-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119398975
[4-bromo-2-(difluoromethoxy)phenyl]-[(3R)-3-methylpiperazin-1-yl]methanone
CID 171037100
[3-(difluoromethoxy)thiophen-2-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119547026
N,N-dimethyl-2-(3-methylpiperazine-1-carbonyl)thiophene-3-sulfonamide
CID 119577922
(3-methylpiperazin-1-yl)-[3-(tetrazol-1-yl)thiophen-2-yl]methanone;hydrochloride
CID 119580143
3-(difluoromethoxy)-N-pyrrolidin-3-ylthiophene-2-carboxamide;hydrochloride
CID 119454350
(3-methoxy-5-phenylthiophen-2-yl)-(3-methylpiperazin-1-yl)methanone;hydrochloride
CID 119578955

Frequently Asked Questions

What is the IUPAC name of [3-(difluoromethoxy)thiophen-2-yl]-(3-methylpiperazin-1-yl)methanone;hydrochloride?
The IUPAC name of [3-(difluoromethoxy)thiophen-2-yl]-(3-methylpiperazin-1-yl)methanone;hydrochloride (CID 119580885) is [3-(difluoromethoxy)thiophen-2-yl]-(3-methylpiperazin-1-yl)methanone;hydrochloride.
What is the SMILES notation for [3-(difluoromethoxy)thiophen-2-yl]-(3-methylpiperazin-1-yl)methanone;hydrochloride?
The canonical SMILES for [3-(difluoromethoxy)thiophen-2-yl]-(3-methylpiperazin-1-yl)methanone;hydrochloride is CC1CN(C(=O)c2sccc2OC(F)F)CCN1.Cl.
What is the InChIKey of [3-(difluoromethoxy)thiophen-2-yl]-(3-methylpiperazin-1-yl)methanone;hydrochloride?
The InChIKey is VGSCPYHLLVYJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O2S.ClH/c1-7-6-15(4-3-14-7)10(16)9-8(2-5-18-9)17-11(12)13;/h2,5,7,11,14H,3-4,6H2,1H3;1H.
What are the key properties of [3-(difluoromethoxy)thiophen-2-yl]-(3-methylpiperazin-1-yl)methanone;hydrochloride?
[3-(difluoromethoxy)thiophen-2-yl]-(3-methylpiperazin-1-yl)methanone;hydrochloride has a molecular weight of 312.77 g/mol, XLogP of 2.21, 3 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]-(3-methylpiperazin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 119580885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).