1-[(5-ethylthiophen-2-yl)-pyridin-2-ylmethyl]piperidine-2-carboxylic acid

C18H22N2O2S — CID 3979426

IUPAC1-[(5-ethylthiophen-2-yl)-pyridin-2-ylmethyl]piperidine-2-carboxylic acid
SMILESCCc1ccc(C(c2ccccn2)N2CCCCC2C(=O)O)s1
InChIInChI=1S/C18H22N2O2S/c1-2-13-9-10-16(23-13)17(14-7-3-5-11-19-14)20-12-6-4-8-15(20)18(21)22/h3,5,7,9-11,15,17H,2,4,6,8,12H2,1H3,(H,21,22)
InChIKeyLPWHJQJCFRDUKQ-UHFFFAOYSA-N
MW330.45 g/mol
LogP3.73
Rot. Bonds5

About 1-[(5-ethylthiophen-2-yl)-pyridin-2-ylmethyl]piperidine-2-carboxylic acid

1-[(5-ethylthiophen-2-yl)-pyridin-2-ylmethyl]piperidine-2-carboxylic acid (PubChem CID 3979426) has the molecular formula C18H22N2O2S and a molecular weight of 330.45 g/mol. Its IUPAC name is 1-[(5-ethylthiophen-2-yl)-pyridin-2-ylmethyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(5-ethylthiophen-2-yl)-pyridin-2-ylmethyl]piperidine-2-carboxylic acid
PubChem CID3979426
Molecular FormulaC18H22N2O2S
Molecular Weight330.45 g/mol
Exact Mass330.14
IUPAC Name1-[(5-ethylthiophen-2-yl)-pyridin-2-ylmethyl]piperidine-2-carboxylic acid
SMILESCCc1ccc(C(c2ccccn2)N2CCCCC2C(=O)O)s1
InChIInChI=1S/C18H22N2O2S/c1-2-13-9-10-16(23-13)17(14-7-3-5-11-19-14)20-12-6-4-8-15(20)18(21)22/h3,5,7,9-11,15,17H,2,4,6,8,12H2,1H3,(H,21,22)
InChIKeyLPWHJQJCFRDUKQ-UHFFFAOYSA-N
XLogP3.73
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(5-ethylthiophen-2-yl)-pyridin-2-ylmethyl]piperidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(5-ethylthiophen-2-yl)-(4-phenylphenyl)methyl]piperidine-2-carboxylic acid
CID 4023938
1-[(5-chlorothiophen-2-yl)-pyridin-2-ylmethyl]pyrrolidine-2-carboxylic acid
CID 3521832
1-(dipyridin-2-ylmethyl)pyrrolidine-2-carboxylic acid
CID 3571659
1-[(5-ethylthiophen-2-yl)-(furan-2-yl)methyl]pyrrolidine-2-carboxylic acid
CID 4297332
1-[(5-bromothiophen-2-yl)-(5-ethylthiophen-2-yl)methyl]pyrrolidine-2-carboxylic acid
CID 4652876
1-[(4-phenylphenyl)-pyridin-2-ylmethyl]piperidine-2-carboxylic acid
CID 4589544
1-[(4-chlorophenyl)-(5-ethylthiophen-2-yl)methyl]pyrrolidine-2-carboxylic acid
CID 3917885
1-[(2,4-dichlorophenyl)-(5-ethylthiophen-2-yl)methyl]pyrrolidine-2-carboxylic acid
CID 3954892
1-[(5-methyl-2-pyridinyl)-(5-methylthiophen-2-yl)methyl]piperidine-2-carboxylic acid
CID 5227467
1-[pyridin-2-yl(thiophen-3-yl)methyl]pyrrolidine-2-carboxylic acid
CID 5033531
1-(1,2-dipyridin-2-ylethyl)piperidine-2-carboxylic acid
CID 4286493
1-[pyridin-2-yl(quinolin-3-yl)methyl]piperidine-2-carboxylic acid
CID 3968160

Frequently Asked Questions

What is the IUPAC name of 1-[(5-ethylthiophen-2-yl)-pyridin-2-ylmethyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[(5-ethylthiophen-2-yl)-pyridin-2-ylmethyl]piperidine-2-carboxylic acid (CID 3979426) is 1-[(5-ethylthiophen-2-yl)-pyridin-2-ylmethyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[(5-ethylthiophen-2-yl)-pyridin-2-ylmethyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[(5-ethylthiophen-2-yl)-pyridin-2-ylmethyl]piperidine-2-carboxylic acid is CCc1ccc(C(c2ccccn2)N2CCCCC2C(=O)O)s1.
What is the InChIKey of 1-[(5-ethylthiophen-2-yl)-pyridin-2-ylmethyl]piperidine-2-carboxylic acid?
The InChIKey is LPWHJQJCFRDUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2S/c1-2-13-9-10-16(23-13)17(14-7-3-5-11-19-14)20-12-6-4-8-15(20)18(21)22/h3,5,7,9-11,15,17H,2,4,6,8,12H2,1H3,(H,21,22).
What are the key properties of 1-[(5-ethylthiophen-2-yl)-pyridin-2-ylmethyl]piperidine-2-carboxylic acid?
1-[(5-ethylthiophen-2-yl)-pyridin-2-ylmethyl]piperidine-2-carboxylic acid has a molecular weight of 330.45 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-ethylthiophen-2-yl)-pyridin-2-ylmethyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 3979426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).