5-methyl-1-[2-[methyl(thiophene-2-carbonyl)amino]acetyl]piperidine-3-carboxylic acid

C15H20N2O4S — CID 122118795

IUPAC5-methyl-1-[2-[methyl(thiophene-2-carbonyl)amino]acetyl]piperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(C(=O)CN(C)C(=O)c2cccs2)C1
InChIInChI=1S/C15H20N2O4S/c1-10-6-11(15(20)21)8-17(7-10)13(18)9-16(2)14(19)12-4-3-5-22-12/h3-5,10-11H,6-9H2,1-2H3,(H,20,21)
InChIKeyFMHAOMDCULYXKB-UHFFFAOYSA-N
MW324.40 g/mol
LogP1.39
Rot. Bonds4

About 5-methyl-1-[2-[methyl(thiophene-2-carbonyl)amino]acetyl]piperidine-3-carboxylic acid

5-methyl-1-[2-[methyl(thiophene-2-carbonyl)amino]acetyl]piperidine-3-carboxylic acid (PubChem CID 122118795) has the molecular formula C15H20N2O4S and a molecular weight of 324.40 g/mol. Its IUPAC name is 5-methyl-1-[2-[methyl(thiophene-2-carbonyl)amino]acetyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-1-[2-[methyl(thiophene-2-carbonyl)amino]acetyl]piperidine-3-carboxylic acid
PubChem CID122118795
Molecular FormulaC15H20N2O4S
Molecular Weight324.40 g/mol
Exact Mass324.11
IUPAC Name5-methyl-1-[2-[methyl(thiophene-2-carbonyl)amino]acetyl]piperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(C(=O)CN(C)C(=O)c2cccs2)C1
InChIInChI=1S/C15H20N2O4S/c1-10-6-11(15(20)21)8-17(7-10)13(18)9-16(2)14(19)12-4-3-5-22-12/h3-5,10-11H,6-9H2,1-2H3,(H,20,21)
InChIKeyFMHAOMDCULYXKB-UHFFFAOYSA-N
XLogP1.39
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 120744714
5-methyl-1-[4-[(thiophene-2-carbonylamino)methyl]benzoyl]piperidine-3-carboxylic acid
CID 122118715
cis-(1R,3S)-3-[[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]cyclopentane-1-carboxylic acid
CID 106320873
N-[2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-oxoethyl]-N-methylthiophene-2-carboxamide;hydrochloride
CID 119636972
N-[2-(4-amino-3,3-dimethylpiperidin-1-yl)-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 120818482
1-[2-[(5-bromothiophene-2-carbonyl)-methylamino]acetyl]pyrrolidine-3-carboxylic acid
CID 119353631
1-[2-[methyl(thiophene-2-carbonyl)amino]acetyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 119136912
N-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 119623355
N-[2-[(4aS,8aS)-1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 97062017
N-[2-[3-(1-aminoethyl)piperidin-1-yl]-2-oxoethyl]-N-methylthiophene-2-carboxamide;hydrochloride
CID 119594587
N-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-oxoethyl]-N-methylthiophene-2-carboxamide;hydrochloride
CID 119623354
N-methyl-N-[2-oxo-2-(3-oxo-1,4-diazepan-1-yl)ethyl]thiophene-2-carboxamide
CID 62898126

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[2-[methyl(thiophene-2-carbonyl)amino]acetyl]piperidine-3-carboxylic acid?
The IUPAC name of 5-methyl-1-[2-[methyl(thiophene-2-carbonyl)amino]acetyl]piperidine-3-carboxylic acid (CID 122118795) is 5-methyl-1-[2-[methyl(thiophene-2-carbonyl)amino]acetyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 5-methyl-1-[2-[methyl(thiophene-2-carbonyl)amino]acetyl]piperidine-3-carboxylic acid?
The canonical SMILES for 5-methyl-1-[2-[methyl(thiophene-2-carbonyl)amino]acetyl]piperidine-3-carboxylic acid is CC1CC(C(=O)O)CN(C(=O)CN(C)C(=O)c2cccs2)C1.
What is the InChIKey of 5-methyl-1-[2-[methyl(thiophene-2-carbonyl)amino]acetyl]piperidine-3-carboxylic acid?
The InChIKey is FMHAOMDCULYXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4S/c1-10-6-11(15(20)21)8-17(7-10)13(18)9-16(2)14(19)12-4-3-5-22-12/h3-5,10-11H,6-9H2,1-2H3,(H,20,21).
What are the key properties of 5-methyl-1-[2-[methyl(thiophene-2-carbonyl)amino]acetyl]piperidine-3-carboxylic acid?
5-methyl-1-[2-[methyl(thiophene-2-carbonyl)amino]acetyl]piperidine-3-carboxylic acid has a molecular weight of 324.40 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[2-[methyl(thiophene-2-carbonyl)amino]acetyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122118795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).