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

C18H22N2O2S — CID 5227467

IUPAC1-[(5-methyl-2-pyridinyl)-(5-methylthiophen-2-yl)methyl]piperidine-2-carboxylic acid
SMILESCc1ccc(C(c2ccc(C)s2)N2CCCCC2C(=O)O)nc1
InChIInChI=1S/C18H22N2O2S/c1-12-6-8-14(19-11-12)17(16-9-7-13(2)23-16)20-10-4-3-5-15(20)18(21)22/h6-9,11,15,17H,3-5,10H2,1-2H3,(H,21,22)
InChIKeyGEHRIMZFGGDKDG-UHFFFAOYSA-N
MW330.45 g/mol
LogP3.79
Rot. Bonds4

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

1-[(5-methyl-2-pyridinyl)-(5-methylthiophen-2-yl)methyl]piperidine-2-carboxylic acid (PubChem CID 5227467) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is 1-[(5-methyl-2-pyridinyl)-(5-methylthiophen-2-yl)methyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(5-methyl-2-pyridinyl)-(5-methylthiophen-2-yl)methyl]piperidine-2-carboxylic acid
PubChem CID5227467
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Name1-[(5-methyl-2-pyridinyl)-(5-methylthiophen-2-yl)methyl]piperidine-2-carboxylic acid
SMILESCc1ccc(C(c2ccc(C)s2)N2CCCCC2C(=O)O)nc1
InChIInChI=1S/C18H22N2O2S/c1-12-6-8-14(19-11-12)17(16-9-7-13(2)23-16)20-10-4-3-5-15(20)18(21)22/h6-9,11,15,17H,3-5,10H2,1-2H3,(H,21,22)
InChIKeyGEHRIMZFGGDKDG-UHFFFAOYSA-N
XLogP3.79
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-2-pyridinyl)-(5-methylthiophen-2-yl)methyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[(5-methyl-2-pyridinyl)-(5-methylthiophen-2-yl)methyl]piperidine-2-carboxylic acid (CID 5227467) is 1-[(5-methyl-2-pyridinyl)-(5-methylthiophen-2-yl)methyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[(5-methyl-2-pyridinyl)-(5-methylthiophen-2-yl)methyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[(5-methyl-2-pyridinyl)-(5-methylthiophen-2-yl)methyl]piperidine-2-carboxylic acid is Cc1ccc(C(c2ccc(C)s2)N2CCCCC2C(=O)O)nc1.
What is the InChIKey of 1-[(5-methyl-2-pyridinyl)-(5-methylthiophen-2-yl)methyl]piperidine-2-carboxylic acid?
The InChIKey is GEHRIMZFGGDKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-12-6-8-14(19-11-12)17(16-9-7-13(2)23-16)20-10-4-3-5-15(20)18(21)22/h6-9,11,15,17H,3-5,10H2,1-2H3,(H,21,22).
What are the key properties of 1-[(5-methyl-2-pyridinyl)-(5-methylthiophen-2-yl)methyl]piperidine-2-carboxylic acid?
1-[(5-methyl-2-pyridinyl)-(5-methylthiophen-2-yl)methyl]piperidine-2-carboxylic acid has a molecular weight of 330.45 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyl-2-pyridinyl)-(5-methylthiophen-2-yl)methyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 5227467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).