2-methyl-1-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]piperidine-4-carboxylic acid

C15H22N2O3S — CID 106744854

IUPAC2-methyl-1-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]piperidine-4-carboxylic acid
SMILESCC1CC(C(=O)O)CCN1CC(=O)N(C)Cc1ccsc1
InChIInChI=1S/C15H22N2O3S/c1-11-7-13(15(19)20)3-5-17(11)9-14(18)16(2)8-12-4-6-21-10-12/h4,6,10-11,13H,3,5,7-9H2,1-2H3,(H,19,20)
InChIKeyFNAWOBQXCCZHEH-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.89
Rot. Bonds5

About 2-methyl-1-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]piperidine-4-carboxylic acid

2-methyl-1-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]piperidine-4-carboxylic acid (PubChem CID 106744854) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 2-methyl-1-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]piperidine-4-carboxylic acid
PubChem CID106744854
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name2-methyl-1-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]piperidine-4-carboxylic acid
SMILESCC1CC(C(=O)O)CCN1CC(=O)N(C)Cc1ccsc1
InChIInChI=1S/C15H22N2O3S/c1-11-7-13(15(19)20)3-5-17(11)9-14(18)16(2)8-12-4-6-21-10-12/h4,6,10-11,13H,3,5,7-9H2,1-2H3,(H,19,20)
InChIKeyFNAWOBQXCCZHEH-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

1-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]piperidine-4-carboxylic acid
CID 43441613
2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 103442053
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-[2-(1-aminoethyl)piperidin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 63255809
2-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 115963766
2-methyl-1-[2-(N-methylanilino)-2-oxoethyl]piperidine-4-carboxylic acid
CID 106745081
2-methyl-1-(2-thiophen-3-ylacetyl)piperidine-4-carboxylic acid
CID 106742061
2-(4-formylpiperidin-1-yl)-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 62654113
2-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-N-methyl-N-(thiophen-3-ylmethyl)acetamide
CID 102681794
N-methyl-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)-N-(thiophen-3-ylmethyl)acetamide
CID 62273221
N-methyl-2-[4-(methylaminomethyl)piperidin-1-yl]-N-(thiophen-3-ylmethyl)acetamide
CID 63248532

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]piperidine-4-carboxylic acid?
The IUPAC name of 2-methyl-1-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]piperidine-4-carboxylic acid (CID 106744854) is 2-methyl-1-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 2-methyl-1-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]piperidine-4-carboxylic acid?
The canonical SMILES for 2-methyl-1-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]piperidine-4-carboxylic acid is CC1CC(C(=O)O)CCN1CC(=O)N(C)Cc1ccsc1.
What is the InChIKey of 2-methyl-1-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]piperidine-4-carboxylic acid?
The InChIKey is FNAWOBQXCCZHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-11-7-13(15(19)20)3-5-17(11)9-14(18)16(2)8-12-4-6-21-10-12/h4,6,10-11,13H,3,5,7-9H2,1-2H3,(H,19,20).
What are the key properties of 2-methyl-1-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]piperidine-4-carboxylic acid?
2-methyl-1-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]piperidine-4-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 2-methyl-1-[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 106744854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).