(2R)-1-(2-methyl-6-thiophen-3-ylpyridine-3-carbonyl)piperidine-2-carboxylic acid

C17H18N2O3S — CID 120537434

IUPAC(2R)-1-(2-methyl-6-thiophen-3-ylpyridine-3-carbonyl)piperidine-2-carboxylic acid
SMILESCc1nc(-c2ccsc2)ccc1C(=O)N1CCCC[C@@H]1C(=O)O
InChIInChI=1S/C17H18N2O3S/c1-11-13(5-6-14(18-11)12-7-9-23-10-12)16(20)19-8-3-2-4-15(19)17(21)22/h5-7,9-10,15H,2-4,8H2,1H3,(H,21,22)/t15-/m1/s1
InChIKeyBGPUABKLPRMXAF-OAHLLOKOSA-N
MW330.41 g/mol
LogP3.20
Rot. Bonds3

About (2R)-1-(2-methyl-6-thiophen-3-ylpyridine-3-carbonyl)piperidine-2-carboxylic acid

(2R)-1-(2-methyl-6-thiophen-3-ylpyridine-3-carbonyl)piperidine-2-carboxylic acid (PubChem CID 120537434) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is (2R)-1-(2-methyl-6-thiophen-3-ylpyridine-3-carbonyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(2-methyl-6-thiophen-3-ylpyridine-3-carbonyl)piperidine-2-carboxylic acid
PubChem CID120537434
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC Name(2R)-1-(2-methyl-6-thiophen-3-ylpyridine-3-carbonyl)piperidine-2-carboxylic acid
SMILESCc1nc(-c2ccsc2)ccc1C(=O)N1CCCC[C@@H]1C(=O)O
InChIInChI=1S/C17H18N2O3S/c1-11-13(5-6-14(18-11)12-7-9-23-10-12)16(20)19-8-3-2-4-15(19)17(21)22/h5-7,9-10,15H,2-4,8H2,1H3,(H,21,22)/t15-/m1/s1
InChIKeyBGPUABKLPRMXAF-OAHLLOKOSA-N
XLogP3.20
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-1-(2-methyl-6-thiophen-3-ylpyridine-3-carbonyl)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-[6-(furan-2-yl)-2-methylpyridine-3-carbonyl]piperidine-2-carboxylic acid
CID 102553983
(3-hydroxypiperidin-1-yl)-(2-methyl-6-thiophen-3-yl-3-pyridinyl)methanone
CID 110922130
1-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]piperidine-2-carboxylic acid
CID 119137791
cis-(1R,3S)-3-[(2-methyl-6-thiophen-3-ylpyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120678974
3,9-diazabicyclo[4.2.1]nonan-3-yl-(2-methyl-6-thiophen-3-yl-3-pyridinyl)methanone
CID 119635243
1,4-diazepan-1-yl-(2-methyl-6-thiophen-3-yl-3-pyridinyl)methanone;dihydrochloride
CID 119414456
[4-(ethylaminomethyl)piperidin-1-yl]-(2-methyl-6-thiophen-3-yl-3-pyridinyl)methanone;dihydrochloride
CID 119644492
[2-(2-hydroxyethyl)piperidin-1-yl]-(2-methyl-6-phenyl-3-pyridinyl)methanone
CID 110887019
(2-methyl-6-thiophen-3-yl-3-pyridinyl)-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 126788105
1-(2-methylbenzoyl)azepane-2-carboxylic acid
CID 64559546
N-[2-(aminomethyl)cyclohexyl]-2-methyl-6-thiophen-3-ylpyridine-3-carboxamide
CID 119609453
[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]-(2-methyl-6-thiophen-3-yl-3-pyridinyl)methanone
CID 126779126

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-methyl-6-thiophen-3-ylpyridine-3-carbonyl)piperidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(2-methyl-6-thiophen-3-ylpyridine-3-carbonyl)piperidine-2-carboxylic acid (CID 120537434) is (2R)-1-(2-methyl-6-thiophen-3-ylpyridine-3-carbonyl)piperidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(2-methyl-6-thiophen-3-ylpyridine-3-carbonyl)piperidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(2-methyl-6-thiophen-3-ylpyridine-3-carbonyl)piperidine-2-carboxylic acid is Cc1nc(-c2ccsc2)ccc1C(=O)N1CCCC[C@@H]1C(=O)O.
What is the InChIKey of (2R)-1-(2-methyl-6-thiophen-3-ylpyridine-3-carbonyl)piperidine-2-carboxylic acid?
The InChIKey is BGPUABKLPRMXAF-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-11-13(5-6-14(18-11)12-7-9-23-10-12)16(20)19-8-3-2-4-15(19)17(21)22/h5-7,9-10,15H,2-4,8H2,1H3,(H,21,22)/t15-/m1/s1.
What are the key properties of (2R)-1-(2-methyl-6-thiophen-3-ylpyridine-3-carbonyl)piperidine-2-carboxylic acid?
(2R)-1-(2-methyl-6-thiophen-3-ylpyridine-3-carbonyl)piperidine-2-carboxylic acid has a molecular weight of 330.41 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-methyl-6-thiophen-3-ylpyridine-3-carbonyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 120537434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).