3-methyl-1-(2-thiophen-3-ylethylcarbamoyl)piperidine-2-carboxylic acid

C14H20N2O3S — CID 107071458

IUPAC3-methyl-1-(2-thiophen-3-ylethylcarbamoyl)piperidine-2-carboxylic acid
SMILESCC1CCCN(C(=O)NCCc2ccsc2)C1C(=O)O
InChIInChI=1S/C14H20N2O3S/c1-10-3-2-7-16(12(10)13(17)18)14(19)15-6-4-11-5-8-20-9-11/h5,8-10,12H,2-4,6-7H2,1H3,(H,15,19)(H,17,18)
InChIKeyGRHFNOYRXSQHHY-UHFFFAOYSA-N
MW296.39 g/mol
LogP2.19
Rot. Bonds4

About 3-methyl-1-(2-thiophen-3-ylethylcarbamoyl)piperidine-2-carboxylic acid

3-methyl-1-(2-thiophen-3-ylethylcarbamoyl)piperidine-2-carboxylic acid (PubChem CID 107071458) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 3-methyl-1-(2-thiophen-3-ylethylcarbamoyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(2-thiophen-3-ylethylcarbamoyl)piperidine-2-carboxylic acid
PubChem CID107071458
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name3-methyl-1-(2-thiophen-3-ylethylcarbamoyl)piperidine-2-carboxylic acid
SMILESCC1CCCN(C(=O)NCCc2ccsc2)C1C(=O)O
InChIInChI=1S/C14H20N2O3S/c1-10-3-2-7-16(12(10)13(17)18)14(19)15-6-4-11-5-8-20-9-11/h5,8-10,12H,2-4,6-7H2,1H3,(H,15,19)(H,17,18)
InChIKeyGRHFNOYRXSQHHY-UHFFFAOYSA-N
XLogP2.19
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(2-thiophen-3-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 54954110
4-methyl-N-(2-thiophen-3-ylethyl)piperidine-1-carboxamide
CID 52656985
3-methyl-1-[(4-methylphenyl)methylcarbamoyl]piperidine-2-carboxylic acid
CID 107071273
3-methyl-1-(2-methylsulfanylethylcarbamoyl)piperidine-2-carboxylic acid
CID 107071675
(2R,4R)-4-hydroxy-1-(2-thiophen-3-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 78999448
1-(but-3-ynylcarbamoyl)-3-methylpiperidine-2-carboxylic acid
CID 107071685
1-(hexylcarbamoyl)-3-methylpiperidine-2-carboxylic acid
CID 107071691
3-methyl-1-(2-methylsulfinylethylcarbamoyl)piperidine-2-carboxylic acid
CID 107071882
3-methyl-1-(3-phenylpropylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 102781918
1-[cyclopropyl(thiophen-3-ylmethyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102781994
3-methyl-1-(3-methylsulfanylpropylcarbamoyl)piperidine-2-carboxylic acid
CID 107071676
3-methyl-1-(thiolan-2-ylmethylcarbamoyl)piperidine-2-carboxylic acid
CID 107071782

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-thiophen-3-ylethylcarbamoyl)piperidine-2-carboxylic acid?
The IUPAC name of 3-methyl-1-(2-thiophen-3-ylethylcarbamoyl)piperidine-2-carboxylic acid (CID 107071458) is 3-methyl-1-(2-thiophen-3-ylethylcarbamoyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(2-thiophen-3-ylethylcarbamoyl)piperidine-2-carboxylic acid?
The canonical SMILES for 3-methyl-1-(2-thiophen-3-ylethylcarbamoyl)piperidine-2-carboxylic acid is CC1CCCN(C(=O)NCCc2ccsc2)C1C(=O)O.
What is the InChIKey of 3-methyl-1-(2-thiophen-3-ylethylcarbamoyl)piperidine-2-carboxylic acid?
The InChIKey is GRHFNOYRXSQHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-10-3-2-7-16(12(10)13(17)18)14(19)15-6-4-11-5-8-20-9-11/h5,8-10,12H,2-4,6-7H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 3-methyl-1-(2-thiophen-3-ylethylcarbamoyl)piperidine-2-carboxylic acid?
3-methyl-1-(2-thiophen-3-ylethylcarbamoyl)piperidine-2-carboxylic acid has a molecular weight of 296.39 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-thiophen-3-ylethylcarbamoyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 107071458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).