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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Related Compounds

3-methyl-1-[1-(5-methylthiophen-2-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 102782082
cis-(1S,3R)-3-[1-(5-methylthiophen-2-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114092124
(3S)-1-[1-(5-methylthiophen-2-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 81126163
3-[1-(5-methylthiophen-2-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 66033016
N-[1-(5-methylthiophen-2-yl)ethyl]piperidine-1-carboxamide
CID 113226653
2-methyl-1-(6-methylheptan-2-ylcarbamoyl)piperidine-4-carboxylic acid
CID 106744109
1-[(4-amino-4-oxobutan-2-yl)carbamoyl]-2-methylpiperidine-4-carboxylic acid
CID 106744558
1-(5-methylthiophen-2-yl)ethylurea
CID 61356567
1-[2-(carbamoylamino)propanoyl]-2-methylpiperidine-4-carboxylic acid
CID 106741731
1-(tert-butylcarbamoyl)-2-methylpiperidine-4-carboxylic acid
CID 106742306
1-(heptan-2-ylcarbamoyl)-2-methylpiperidine-4-carboxylic acid
CID 106744100
cyclopropyl-[4-[1-(5-methylthiophen-2-yl)ethylamino]piperidin-1-yl]methanone
CID 43747882

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).