1-[[2-(5-methylthiophen-2-yl)-3-pyridinyl]carbamoyl]piperidine-3-carboxylic acid

C17H19N3O3S — CID 122090928

IUPAC1-[[2-(5-methylthiophen-2-yl)-3-pyridinyl]carbamoyl]piperidine-3-carboxylic acid
SMILESCc1ccc(-c2ncccc2NC(=O)N2CCCC(C(=O)O)C2)s1
InChIInChI=1S/C17H19N3O3S/c1-11-6-7-14(24-11)15-13(5-2-8-18-15)19-17(23)20-9-3-4-12(10-20)16(21)22/h2,5-8,12H,3-4,9-10H2,1H3,(H,19,23)(H,21,22)
InChIKeyFOEASXDGSHFXKQ-UHFFFAOYSA-N
MW345.42 g/mol
LogP3.45
Rot. Bonds3

About 1-[[2-(5-methylthiophen-2-yl)-3-pyridinyl]carbamoyl]piperidine-3-carboxylic acid

1-[[2-(5-methylthiophen-2-yl)-3-pyridinyl]carbamoyl]piperidine-3-carboxylic acid (PubChem CID 122090928) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is 1-[[2-(5-methylthiophen-2-yl)-3-pyridinyl]carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(5-methylthiophen-2-yl)-3-pyridinyl]carbamoyl]piperidine-3-carboxylic acid
PubChem CID122090928
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC Name1-[[2-(5-methylthiophen-2-yl)-3-pyridinyl]carbamoyl]piperidine-3-carboxylic acid
SMILESCc1ccc(-c2ncccc2NC(=O)N2CCCC(C(=O)O)C2)s1
InChIInChI=1S/C17H19N3O3S/c1-11-6-7-14(24-11)15-13(5-2-8-18-15)19-17(23)20-9-3-4-12(10-20)16(21)22/h2,5-8,12H,3-4,9-10H2,1H3,(H,19,23)(H,21,22)
InChIKeyFOEASXDGSHFXKQ-UHFFFAOYSA-N
XLogP3.45
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-7,7-dimethyl-N-[2-(5-methylthiophen-2-yl)-3-pyridinyl]-1-oxo-1,4-thiazepane-4-carboxamide
CID 164630602
1-[(3-chloro-2-methylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 43318390
1-[(2-ethylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 43318533
(3S)-1-[(2-ethylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 28512559
(3R)-1-[(2-fluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 28512627
1-[(2-methylpyrimidin-4-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122089896
1-[(5-methylthiophen-2-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 62056913
1-[(2-methyl-4-pyridinyl)carbamoyl]piperidine-3-carboxylic acid
CID 122088415
1-(5-methylthiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 18072986
(3S)-1-[1-(5-methylthiophen-2-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 81126163
1-[[2-(3,5-dimethyl-1,2,4-triazol-1-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122087078
1-[(4-cyclopropyl-2-methylpyrimidin-5-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122092513

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(5-methylthiophen-2-yl)-3-pyridinyl]carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[[2-(5-methylthiophen-2-yl)-3-pyridinyl]carbamoyl]piperidine-3-carboxylic acid (CID 122090928) is 1-[[2-(5-methylthiophen-2-yl)-3-pyridinyl]carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[[2-(5-methylthiophen-2-yl)-3-pyridinyl]carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[[2-(5-methylthiophen-2-yl)-3-pyridinyl]carbamoyl]piperidine-3-carboxylic acid is Cc1ccc(-c2ncccc2NC(=O)N2CCCC(C(=O)O)C2)s1.
What is the InChIKey of 1-[[2-(5-methylthiophen-2-yl)-3-pyridinyl]carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is FOEASXDGSHFXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-11-6-7-14(24-11)15-13(5-2-8-18-15)19-17(23)20-9-3-4-12(10-20)16(21)22/h2,5-8,12H,3-4,9-10H2,1H3,(H,19,23)(H,21,22).
What are the key properties of 1-[[2-(5-methylthiophen-2-yl)-3-pyridinyl]carbamoyl]piperidine-3-carboxylic acid?
1-[[2-(5-methylthiophen-2-yl)-3-pyridinyl]carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 345.42 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(5-methylthiophen-2-yl)-3-pyridinyl]carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122090928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).