2-methyl-1-[methyl(2-thiophen-2-ylethyl)carbamoyl]piperidine-2-carboxylic acid

C15H22N2O3S — CID 104598346

IUPAC2-methyl-1-[methyl(2-thiophen-2-ylethyl)carbamoyl]piperidine-2-carboxylic acid
SMILESCN(CCc1cccs1)C(=O)N1CCCCC1(C)C(=O)O
InChIInChI=1S/C15H22N2O3S/c1-15(13(18)19)8-3-4-9-17(15)14(20)16(2)10-7-12-6-5-11-21-12/h5-6,11H,3-4,7-10H2,1-2H3,(H,18,19)
InChIKeyMHSYGANNTVOWTE-UHFFFAOYSA-N
MW310.42 g/mol
LogP2.67
Rot. Bonds4

About 2-methyl-1-[methyl(2-thiophen-2-ylethyl)carbamoyl]piperidine-2-carboxylic acid

2-methyl-1-[methyl(2-thiophen-2-ylethyl)carbamoyl]piperidine-2-carboxylic acid (PubChem CID 104598346) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 2-methyl-1-[methyl(2-thiophen-2-ylethyl)carbamoyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-[methyl(2-thiophen-2-ylethyl)carbamoyl]piperidine-2-carboxylic acid
PubChem CID104598346
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name2-methyl-1-[methyl(2-thiophen-2-ylethyl)carbamoyl]piperidine-2-carboxylic acid
SMILESCN(CCc1cccs1)C(=O)N1CCCCC1(C)C(=O)O
InChIInChI=1S/C15H22N2O3S/c1-15(13(18)19)8-3-4-9-17(15)14(20)16(2)10-7-12-6-5-11-21-12/h5-6,11H,3-4,7-10H2,1-2H3,(H,18,19)
InChIKeyMHSYGANNTVOWTE-UHFFFAOYSA-N
XLogP2.67
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[[methyl(2-thiophen-2-ylethyl)carbamoyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 115434442
N-methyl-N-(2-thiophen-2-ylethyl)cyclopentanecarboxamide
CID 110733430
2-methyl-1-[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]piperidine-2-carboxylic acid
CID 104598291
1-[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]-2-methylpiperidine-2-carboxylic acid
CID 104597906
2-methyl-1-[methyl(2-propan-2-yloxyethyl)carbamoyl]piperidine-2-carboxylic acid
CID 104598372
2-methyl-1-[methyl(2,2,2-trifluoroethyl)carbamoyl]piperidine-2-carboxylic acid
CID 113431022
2-methyl-1-[2-(thiophene-2-carbonylamino)acetyl]piperidine-2-carboxylic acid
CID 104594699
2-[1-[methyl(2-thiophen-2-ylethyl)carbamoyl]piperidin-4-yl]acetic acid
CID 79609917
2-[methyl-[methyl(2-thiophen-2-ylethyl)carbamoyl]amino]propanoic acid
CID 79487976
2-methyl-1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperidine-2-carboxylic acid
CID 104598750
4-amino-N-methyl-N-(2-thiophen-2-ylethyl)oxane-4-carboxamide
CID 113280867
2-ethyl-1-(3-thiophen-2-ylpropanoyl)pyrrolidine-2-carboxylic acid
CID 83075965

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[methyl(2-thiophen-2-ylethyl)carbamoyl]piperidine-2-carboxylic acid?
The IUPAC name of 2-methyl-1-[methyl(2-thiophen-2-ylethyl)carbamoyl]piperidine-2-carboxylic acid (CID 104598346) is 2-methyl-1-[methyl(2-thiophen-2-ylethyl)carbamoyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 2-methyl-1-[methyl(2-thiophen-2-ylethyl)carbamoyl]piperidine-2-carboxylic acid?
The canonical SMILES for 2-methyl-1-[methyl(2-thiophen-2-ylethyl)carbamoyl]piperidine-2-carboxylic acid is CN(CCc1cccs1)C(=O)N1CCCCC1(C)C(=O)O.
What is the InChIKey of 2-methyl-1-[methyl(2-thiophen-2-ylethyl)carbamoyl]piperidine-2-carboxylic acid?
The InChIKey is MHSYGANNTVOWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-15(13(18)19)8-3-4-9-17(15)14(20)16(2)10-7-12-6-5-11-21-12/h5-6,11H,3-4,7-10H2,1-2H3,(H,18,19).
What are the key properties of 2-methyl-1-[methyl(2-thiophen-2-ylethyl)carbamoyl]piperidine-2-carboxylic acid?
2-methyl-1-[methyl(2-thiophen-2-ylethyl)carbamoyl]piperidine-2-carboxylic acid has a molecular weight of 310.42 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[methyl(2-thiophen-2-ylethyl)carbamoyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 104598346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).