methyl 4-methyl-3-(2-piperidin-1-ylbutanoylamino)thiophene-2-carboxylate

C16H24N2O3S — CID 155322382

IUPACmethyl 4-methyl-3-(2-piperidin-1-ylbutanoylamino)thiophene-2-carboxylate
SMILESCCC(C(=O)Nc1c(C)csc1C(=O)OC)N1CCCCC1
InChIInChI=1S/C16H24N2O3S/c1-4-12(18-8-6-5-7-9-18)15(19)17-13-11(2)10-22-14(13)16(20)21-3/h10,12H,4-9H2,1-3H3,(H,17,19)
InChIKeyYAMFXVBVUXVGAX-UHFFFAOYSA-N
MW324.45 g/mol
LogP3.05
Rot. Bonds5

About methyl 4-methyl-3-(2-piperidin-1-ylbutanoylamino)thiophene-2-carboxylate

methyl 4-methyl-3-(2-piperidin-1-ylbutanoylamino)thiophene-2-carboxylate (PubChem CID 155322382) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is methyl 4-methyl-3-(2-piperidin-1-ylbutanoylamino)thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-3-(2-piperidin-1-ylbutanoylamino)thiophene-2-carboxylate
PubChem CID155322382
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Namemethyl 4-methyl-3-(2-piperidin-1-ylbutanoylamino)thiophene-2-carboxylate
SMILESCCC(C(=O)Nc1c(C)csc1C(=O)OC)N1CCCCC1
InChIInChI=1S/C16H24N2O3S/c1-4-12(18-8-6-5-7-9-18)15(19)17-13-11(2)10-22-14(13)16(20)21-3/h10,12H,4-9H2,1-3H3,(H,17,19)
InChIKeyYAMFXVBVUXVGAX-UHFFFAOYSA-N
XLogP3.05
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Articaine
CID 32170
Articaine Hydrochloride
CID 32169
Ethyl 4,5-dimethyl-2-[(piperidin-1-ylacetyl)amino]thiophene-3-carboxylate
CID 691671
Articaine, (S)-
CID 6604377
Methyl 3-[(cyclohexylcarbonyl)amino]-4-methyl-2-thiophenecarboxylate
CID 3811641
Methyl 4-methyl-3-{[2-(3-oxo-2-piperazinyl)acetyl]amino}-2-thiophenecarboxylate
CID 2810302
Methyl 4-ethyl-2-{[(4-ethylpiperazin-1-yl)acetyl]amino}-5-methylthiophene-3-carboxylate
CID 6464711
2-Carboxyarticaine
CID 163921
Methyl 3-formamido-4-methylthiophene-2-carboxylate
CID 2777642
1-(But-1-en-2-yl)-2-(5-(2-ethylcyclopentyl)-2,3-dimethylenepentyl)-3,4-dimethylcyclopenta-1,3-diene
CID 53326054
Ethyl 2-(2-(4-ethylpiperazin-1-yl)acetamido)-4,5-dimethylthiophene-3-carboxylate
CID 1276606
Methyl 4-methyl-3-[(2-piperidin-1-ylacetyl)amino]thiophene-2-carboxylate
CID 2807931

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-3-(2-piperidin-1-ylbutanoylamino)thiophene-2-carboxylate?
The IUPAC name of methyl 4-methyl-3-(2-piperidin-1-ylbutanoylamino)thiophene-2-carboxylate (CID 155322382) is methyl 4-methyl-3-(2-piperidin-1-ylbutanoylamino)thiophene-2-carboxylate.
What is the SMILES notation for methyl 4-methyl-3-(2-piperidin-1-ylbutanoylamino)thiophene-2-carboxylate?
The canonical SMILES for methyl 4-methyl-3-(2-piperidin-1-ylbutanoylamino)thiophene-2-carboxylate is CCC(C(=O)Nc1c(C)csc1C(=O)OC)N1CCCCC1.
What is the InChIKey of methyl 4-methyl-3-(2-piperidin-1-ylbutanoylamino)thiophene-2-carboxylate?
The InChIKey is YAMFXVBVUXVGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-4-12(18-8-6-5-7-9-18)15(19)17-13-11(2)10-22-14(13)16(20)21-3/h10,12H,4-9H2,1-3H3,(H,17,19).
What are the key properties of methyl 4-methyl-3-(2-piperidin-1-ylbutanoylamino)thiophene-2-carboxylate?
methyl 4-methyl-3-(2-piperidin-1-ylbutanoylamino)thiophene-2-carboxylate has a molecular weight of 324.45 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-3-(2-piperidin-1-ylbutanoylamino)thiophene-2-carboxylate is sourced from PubChem (CID 155322382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).