3-methyl-1-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]piperidine-3-carboxylic acid

C15H22N2O3S — CID 63137287

IUPAC3-methyl-1-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]piperidine-3-carboxylic acid
SMILESCN(Cc1ccsc1)C(=O)CN1CCCC(C)(C(=O)O)C1
InChIInChI=1S/C15H22N2O3S/c1-15(14(19)20)5-3-6-17(11-15)9-13(18)16(2)8-12-4-7-21-10-12/h4,7,10H,3,5-6,8-9,11H2,1-2H3,(H,19,20)
InChIKeyMZWCVYXRVCSGLG-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.89
Rot. Bonds5

About 3-methyl-1-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]piperidine-3-carboxylic acid

3-methyl-1-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]piperidine-3-carboxylic acid (PubChem CID 63137287) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 3-methyl-1-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]piperidine-3-carboxylic acid
PubChem CID63137287
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name3-methyl-1-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]piperidine-3-carboxylic acid
SMILESCN(Cc1ccsc1)C(=O)CN1CCCC(C)(C(=O)O)C1
InChIInChI=1S/C15H22N2O3S/c1-15(14(19)20)5-3-6-17(11-15)9-13(18)16(2)8-12-4-7-21-10-12/h4,7,10H,3,5-6,8-9,11H2,1-2H3,(H,19,20)
InChIKeyMZWCVYXRVCSGLG-UHFFFAOYSA-N
XLogP1.89
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3R)-3-aminopiperidin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 102977518
N-methyl-2-piperazin-1-yl-N-(thiophen-3-ylmethyl)acetamide
CID 43162389
2-[3-(2-hydroxyethyl)piperidin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 62357316
1-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]piperidine-4-carboxylic acid
CID 43441613
1-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 43527993
2-(4-formylpiperidin-1-yl)-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 62654113
N-methyl-2-[4-(methylaminomethyl)piperidin-1-yl]-N-(thiophen-3-ylmethyl)acetamide
CID 63248532
1-[2-(diethylamino)-2-oxoethyl]-3-methylpiperidine-3-carboxylic acid
CID 55165123
N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)-N-(thiophen-3-ylmethyl)acetamide
CID 8595309
2-(2-formylpiperidin-1-yl)-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 55099979
2-[1-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]piperidin-2-yl]acetic acid
CID 61009991
2-[(4S)-4-benzyl-2-oxopyrrolidin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 97279676

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]piperidine-3-carboxylic acid?
The IUPAC name of 3-methyl-1-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]piperidine-3-carboxylic acid (CID 63137287) is 3-methyl-1-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 3-methyl-1-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]piperidine-3-carboxylic acid?
The canonical SMILES for 3-methyl-1-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]piperidine-3-carboxylic acid is CN(Cc1ccsc1)C(=O)CN1CCCC(C)(C(=O)O)C1.
What is the InChIKey of 3-methyl-1-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]piperidine-3-carboxylic acid?
The InChIKey is MZWCVYXRVCSGLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-15(14(19)20)5-3-6-17(11-15)9-13(18)16(2)8-12-4-7-21-10-12/h4,7,10H,3,5-6,8-9,11H2,1-2H3,(H,19,20).
What are the key properties of 3-methyl-1-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]piperidine-3-carboxylic acid?
3-methyl-1-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]piperidine-3-carboxylic acid has a molecular weight of 310.42 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 63137287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).