3-fluoro-N-[4-methyl-5-[4-(methylaminomethyl)piperidine-1-carbonyl]thiophen-2-yl]benzamide;hydrochloride

C20H25ClFN3O2S — CID 119545620

IUPAC3-fluoro-N-[4-methyl-5-[4-(methylaminomethyl)piperidine-1-carbonyl]thiophen-2-yl]benzamide;hydrochloride
SMILESCNCC1CCN(C(=O)c2sc(NC(=O)c3cccc(F)c3)cc2C)CC1.Cl
InChIInChI=1S/C20H24FN3O2S.ClH/c1-13-10-17(23-19(25)15-4-3-5-16(21)11-15)27-18(13)20(26)24-8-6-14(7-9-24)12-22-2;/h3-5,10-11,14,22H,6-9,12H2,1-2H3,(H,23,25);1H
InChIKeyPHHRRCNPSPSLJM-UHFFFAOYSA-N
MW425.96 g/mol
LogP3.94
Rot. Bonds5

About 3-fluoro-N-[4-methyl-5-[4-(methylaminomethyl)piperidine-1-carbonyl]thiophen-2-yl]benzamide;hydrochloride

3-fluoro-N-[4-methyl-5-[4-(methylaminomethyl)piperidine-1-carbonyl]thiophen-2-yl]benzamide;hydrochloride (PubChem CID 119545620) has the molecular formula C20H25ClFN3O2S and a molecular weight of 425.96 g/mol. Its IUPAC name is 3-fluoro-N-[4-methyl-5-[4-(methylaminomethyl)piperidine-1-carbonyl]thiophen-2-yl]benzamide;hydrochloride.

Molecular Properties

Compound Name3-fluoro-N-[4-methyl-5-[4-(methylaminomethyl)piperidine-1-carbonyl]thiophen-2-yl]benzamide;hydrochloride
PubChem CID119545620
Molecular FormulaC20H25ClFN3O2S
Molecular Weight425.96 g/mol
Exact Mass425.13
IUPAC Name3-fluoro-N-[4-methyl-5-[4-(methylaminomethyl)piperidine-1-carbonyl]thiophen-2-yl]benzamide;hydrochloride
SMILESCNCC1CCN(C(=O)c2sc(NC(=O)c3cccc(F)c3)cc2C)CC1.Cl
InChIInChI=1S/C20H24FN3O2S.ClH/c1-13-10-17(23-19(25)15-4-3-5-16(21)11-15)27-18(13)20(26)24-8-6-14(7-9-24)12-22-2;/h3-5,10-11,14,22H,6-9,12H2,1-2H3,(H,23,25);1H
InChIKeyPHHRRCNPSPSLJM-UHFFFAOYSA-N
XLogP3.94
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.96
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(4-aminopiperidine-1-carbonyl)-4-methylthiophen-2-yl]-3-fluorobenzamide;hydrochloride
CID 119375637
N-[5-[(3R)-3-aminopyrrolidine-1-carbonyl]-4-methylthiophen-2-yl]-3-fluorobenzamide;hydrochloride
CID 119412139
3-fluoro-N-[4-methyl-5-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]thiophen-2-yl]benzamide
CID 55870430
N-[5-[4-(1-aminoethyl)piperidine-1-carbonyl]-4-methylthiophen-2-yl]-3-fluorobenzamide
CID 119519630
N-[5-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-4-methylthiophen-2-yl]-3-fluorobenzamide
CID 120819291
3-fluoro-N-[4-methyl-5-[3-(1-methylpiperidin-4-yl)pyrrolidine-1-carbonyl]thiophen-2-yl]benzamide
CID 138994070
3-fluoro-N-[5-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]-4-methylthiophen-2-yl]benzamide
CID 55828192
3-fluoro-N-[4-methyl-5-(3-methylpiperazine-1-carbonyl)thiophen-2-yl]benzamide
CID 119579397
3-fluoro-N-[5-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]-4-methylthiophen-2-yl]benzamide
CID 112834301
4-[5-[(3-fluorobenzoyl)amino]-3-methylthiophene-2-carbonyl]morpholine-2-carboxylic acid
CID 119239290
5-[(3-fluorobenzoyl)amino]-3-methyl-N-[2-(methylamino)ethyl]thiophene-2-carboxamide
CID 119502945
3-fluoro-N-[5-[2-[(3-fluorophenyl)methyl]pyrrolidine-1-carbonyl]-4-methylthiophen-2-yl]benzamide
CID 55877832

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[4-methyl-5-[4-(methylaminomethyl)piperidine-1-carbonyl]thiophen-2-yl]benzamide;hydrochloride?
The IUPAC name of 3-fluoro-N-[4-methyl-5-[4-(methylaminomethyl)piperidine-1-carbonyl]thiophen-2-yl]benzamide;hydrochloride (CID 119545620) is 3-fluoro-N-[4-methyl-5-[4-(methylaminomethyl)piperidine-1-carbonyl]thiophen-2-yl]benzamide;hydrochloride.
What is the SMILES notation for 3-fluoro-N-[4-methyl-5-[4-(methylaminomethyl)piperidine-1-carbonyl]thiophen-2-yl]benzamide;hydrochloride?
The canonical SMILES for 3-fluoro-N-[4-methyl-5-[4-(methylaminomethyl)piperidine-1-carbonyl]thiophen-2-yl]benzamide;hydrochloride is CNCC1CCN(C(=O)c2sc(NC(=O)c3cccc(F)c3)cc2C)CC1.Cl.
What is the InChIKey of 3-fluoro-N-[4-methyl-5-[4-(methylaminomethyl)piperidine-1-carbonyl]thiophen-2-yl]benzamide;hydrochloride?
The InChIKey is PHHRRCNPSPSLJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O2S.ClH/c1-13-10-17(23-19(25)15-4-3-5-16(21)11-15)27-18(13)20(26)24-8-6-14(7-9-24)12-22-2;/h3-5,10-11,14,22H,6-9,12H2,1-2H3,(H,23,25);1H.
What are the key properties of 3-fluoro-N-[4-methyl-5-[4-(methylaminomethyl)piperidine-1-carbonyl]thiophen-2-yl]benzamide;hydrochloride?
3-fluoro-N-[4-methyl-5-[4-(methylaminomethyl)piperidine-1-carbonyl]thiophen-2-yl]benzamide;hydrochloride has a molecular weight of 425.96 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[4-methyl-5-[4-(methylaminomethyl)piperidine-1-carbonyl]thiophen-2-yl]benzamide;hydrochloride is sourced from PubChem (CID 119545620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).