1-[methyl(thiophen-2-ylmethyl)carbamoyl]piperidine-4-carboxylic acid

C13H18N2O3S — CID 43527825

IUPAC1-[methyl(thiophen-2-ylmethyl)carbamoyl]piperidine-4-carboxylic acid
SMILESCN(Cc1cccs1)C(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C13H18N2O3S/c1-14(9-11-3-2-8-19-11)13(18)15-6-4-10(5-7-15)12(16)17/h2-3,8,10H,4-7,9H2,1H3,(H,16,17)
InChIKeyGTNCZJVNAASHIH-UHFFFAOYSA-N
MW282.36 g/mol
LogP2.10
Rot. Bonds3

About 1-[methyl(thiophen-2-ylmethyl)carbamoyl]piperidine-4-carboxylic acid

1-[methyl(thiophen-2-ylmethyl)carbamoyl]piperidine-4-carboxylic acid (PubChem CID 43527825) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is 1-[methyl(thiophen-2-ylmethyl)carbamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[methyl(thiophen-2-ylmethyl)carbamoyl]piperidine-4-carboxylic acid
PubChem CID43527825
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC Name1-[methyl(thiophen-2-ylmethyl)carbamoyl]piperidine-4-carboxylic acid
SMILESCN(Cc1cccs1)C(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C13H18N2O3S/c1-14(9-11-3-2-8-19-11)13(18)15-6-4-10(5-7-15)12(16)17/h2-3,8,10H,4-7,9H2,1H3,(H,16,17)
InChIKeyGTNCZJVNAASHIH-UHFFFAOYSA-N
XLogP2.10
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63030379
2-[1-[methyl(2-thiophen-2-ylethyl)carbamoyl]piperidin-4-yl]acetic acid
CID 79609917
1-[methyl(thiophen-2-ylmethyl)carbamoyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106983696
1-[benzyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63030695
(3S)-1-(2-thiophen-2-ylacetyl)pyrrolidine-3-carboxylic acid
CID 94917211
4-[methyl(2-thiophen-2-ylethyl)amino]cyclohexane-1-carboxylic acid
CID 115149148
1-[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]piperidine-3-carboxylic acid
CID 61455664
2-[methyl(thiophen-2-ylmethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 43396486
1-[1-oxo-1-[prop-2-enyl(thiophen-2-ylmethyl)amino]propan-2-yl]piperidine-4-carboxylic acid;hydrochloride
CID 119907626
(3S)-1-[cyclopropyl(thiophen-2-ylmethyl)carbamoyl]piperidine-3-carboxylic acid
CID 81117787
1-[methyl(phenyl)carbamoyl]piperidine-4-carboxylic acid
CID 28513181
1-(2,2-dimethylpropanoyl)-N,N-bis(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 55436253

Frequently Asked Questions

What is the IUPAC name of 1-[methyl(thiophen-2-ylmethyl)carbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[methyl(thiophen-2-ylmethyl)carbamoyl]piperidine-4-carboxylic acid (CID 43527825) is 1-[methyl(thiophen-2-ylmethyl)carbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[methyl(thiophen-2-ylmethyl)carbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[methyl(thiophen-2-ylmethyl)carbamoyl]piperidine-4-carboxylic acid is CN(Cc1cccs1)C(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[methyl(thiophen-2-ylmethyl)carbamoyl]piperidine-4-carboxylic acid?
The InChIKey is GTNCZJVNAASHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-14(9-11-3-2-8-19-11)13(18)15-6-4-10(5-7-15)12(16)17/h2-3,8,10H,4-7,9H2,1H3,(H,16,17).
What are the key properties of 1-[methyl(thiophen-2-ylmethyl)carbamoyl]piperidine-4-carboxylic acid?
1-[methyl(thiophen-2-ylmethyl)carbamoyl]piperidine-4-carboxylic acid has a molecular weight of 282.36 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl(thiophen-2-ylmethyl)carbamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 43527825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).