2-methyl-1-[1-(5-methylthiophen-2-yl)ethylcarbamoyl]piperidine-4-carboxylic acid

C15H22N2O3S — CID 106744116

IUPAC2-methyl-1-[1-(5-methylthiophen-2-yl)ethylcarbamoyl]piperidine-4-carboxylic acid
SMILESCc1ccc(C(C)NC(=O)N2CCC(C(=O)O)CC2C)s1
InChIInChI=1S/C15H22N2O3S/c1-9-8-12(14(18)19)6-7-17(9)15(20)16-11(3)13-5-4-10(2)21-13/h4-5,9,11-12H,6-8H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyDOZWICMLHTWKTB-UHFFFAOYSA-N
MW310.42 g/mol
LogP3.01
Rot. Bonds3

About 2-methyl-1-[1-(5-methylthiophen-2-yl)ethylcarbamoyl]piperidine-4-carboxylic acid

2-methyl-1-[1-(5-methylthiophen-2-yl)ethylcarbamoyl]piperidine-4-carboxylic acid (PubChem CID 106744116) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 2-methyl-1-[1-(5-methylthiophen-2-yl)ethylcarbamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-[1-(5-methylthiophen-2-yl)ethylcarbamoyl]piperidine-4-carboxylic acid
PubChem CID106744116
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name2-methyl-1-[1-(5-methylthiophen-2-yl)ethylcarbamoyl]piperidine-4-carboxylic acid
SMILESCc1ccc(C(C)NC(=O)N2CCC(C(=O)O)CC2C)s1
InChIInChI=1S/C15H22N2O3S/c1-9-8-12(14(18)19)6-7-17(9)15(20)16-11(3)13-5-4-10(2)21-13/h4-5,9,11-12H,6-8H2,1-3H3,(H,16,20)(H,18,19)
InChIKeyDOZWICMLHTWKTB-UHFFFAOYSA-N
XLogP3.01
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[1-(5-methylthiophen-2-yl)ethylcarbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 2-methyl-1-[1-(5-methylthiophen-2-yl)ethylcarbamoyl]piperidine-4-carboxylic acid (CID 106744116) is 2-methyl-1-[1-(5-methylthiophen-2-yl)ethylcarbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 2-methyl-1-[1-(5-methylthiophen-2-yl)ethylcarbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 2-methyl-1-[1-(5-methylthiophen-2-yl)ethylcarbamoyl]piperidine-4-carboxylic acid is Cc1ccc(C(C)NC(=O)N2CCC(C(=O)O)CC2C)s1.
What is the InChIKey of 2-methyl-1-[1-(5-methylthiophen-2-yl)ethylcarbamoyl]piperidine-4-carboxylic acid?
The InChIKey is DOZWICMLHTWKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-9-8-12(14(18)19)6-7-17(9)15(20)16-11(3)13-5-4-10(2)21-13/h4-5,9,11-12H,6-8H2,1-3H3,(H,16,20)(H,18,19).
What are the key properties of 2-methyl-1-[1-(5-methylthiophen-2-yl)ethylcarbamoyl]piperidine-4-carboxylic acid?
2-methyl-1-[1-(5-methylthiophen-2-yl)ethylcarbamoyl]piperidine-4-carboxylic acid has a molecular weight of 310.42 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[1-(5-methylthiophen-2-yl)ethylcarbamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 106744116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).