1-(5-chloro-6-ethoxypyridine-3-carbonyl)-6-methylpiperidine-3-carboxylic acid

C15H19ClN2O4 — CID 122112919

IUPAC1-(5-chloro-6-ethoxypyridine-3-carbonyl)-6-methylpiperidine-3-carboxylic acid
SMILESCCOc1ncc(C(=O)N2CC(C(=O)O)CCC2C)cc1Cl
InChIInChI=1S/C15H19ClN2O4/c1-3-22-13-12(16)6-11(7-17-13)14(19)18-8-10(15(20)21)5-4-9(18)2/h6-7,9-10H,3-5,8H2,1-2H3,(H,20,21)
InChIKeyVWNWECSVAKJNGD-UHFFFAOYSA-N
MW326.78 g/mol
LogP2.46
Rot. Bonds4

About 1-(5-chloro-6-ethoxypyridine-3-carbonyl)-6-methylpiperidine-3-carboxylic acid

1-(5-chloro-6-ethoxypyridine-3-carbonyl)-6-methylpiperidine-3-carboxylic acid (PubChem CID 122112919) has the molecular formula C15H19ClN2O4 and a molecular weight of 326.78 g/mol. Its IUPAC name is 1-(5-chloro-6-ethoxypyridine-3-carbonyl)-6-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(5-chloro-6-ethoxypyridine-3-carbonyl)-6-methylpiperidine-3-carboxylic acid
PubChem CID122112919
Molecular FormulaC15H19ClN2O4
Molecular Weight326.78 g/mol
Exact Mass326.10
IUPAC Name1-(5-chloro-6-ethoxypyridine-3-carbonyl)-6-methylpiperidine-3-carboxylic acid
SMILESCCOc1ncc(C(=O)N2CC(C(=O)O)CCC2C)cc1Cl
InChIInChI=1S/C15H19ClN2O4/c1-3-22-13-12(16)6-11(7-17-13)14(19)18-8-10(15(20)21)5-4-9(18)2/h6-7,9-10H,3-5,8H2,1-2H3,(H,20,21)
InChIKeyVWNWECSVAKJNGD-UHFFFAOYSA-N
XLogP2.46
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(5-chloro-6-ethoxypyridine-3-carbonyl)-6-methylpiperidine-3-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-chloro-6-ethoxypyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 120533892
(3R,6S)-1-(5-chloro-6-propan-2-yloxypyridine-3-carbonyl)-6-methylpiperidine-3-carboxamide
CID 95584937
1-(5-fluoropyridine-3-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 122083524
(3S,6R)-1-(furo[3,2-b]pyridine-6-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 167751397
1-(3-chloro-4-pyridin-4-yloxybenzoyl)-6-methylpiperidine-3-carboxylic acid
CID 122113159
(5-chloro-6-ethoxy-3-pyridinyl)-[(3S,4R)-3-(dimethylamino)-4-ethylpyrrolidin-1-yl]methanone
CID 97096977
(5-chloro-6-ethoxy-3-pyridinyl)-[(3S,4S)-3-(dimethylamino)-4-ethylpyrrolidin-1-yl]methanone
CID 97096978
1-[1-(2,4-dichlorophenyl)pyrazole-4-carbonyl]-6-methylpiperidine-3-carboxylic acid
CID 122113823
6-methyl-1-[6-(2,2,3,3-tetrafluoropropoxy)pyridine-3-carbonyl]piperidine-3-carboxylic acid
CID 122113684
6-methyl-1-(4-prop-2-enoxybenzoyl)piperidine-3-carboxylic acid
CID 122083617
6-methyl-1-(2-phenylmethoxypyridine-4-carbonyl)piperidine-3-carboxylic acid
CID 122113029
1-(5-chloro-6-propan-2-yloxypyridine-3-carbonyl)piperidine-3-carboxylic acid
CID 75421699

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-6-ethoxypyridine-3-carbonyl)-6-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(5-chloro-6-ethoxypyridine-3-carbonyl)-6-methylpiperidine-3-carboxylic acid (CID 122112919) is 1-(5-chloro-6-ethoxypyridine-3-carbonyl)-6-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(5-chloro-6-ethoxypyridine-3-carbonyl)-6-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(5-chloro-6-ethoxypyridine-3-carbonyl)-6-methylpiperidine-3-carboxylic acid is CCOc1ncc(C(=O)N2CC(C(=O)O)CCC2C)cc1Cl.
What is the InChIKey of 1-(5-chloro-6-ethoxypyridine-3-carbonyl)-6-methylpiperidine-3-carboxylic acid?
The InChIKey is VWNWECSVAKJNGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O4/c1-3-22-13-12(16)6-11(7-17-13)14(19)18-8-10(15(20)21)5-4-9(18)2/h6-7,9-10H,3-5,8H2,1-2H3,(H,20,21).
What are the key properties of 1-(5-chloro-6-ethoxypyridine-3-carbonyl)-6-methylpiperidine-3-carboxylic acid?
1-(5-chloro-6-ethoxypyridine-3-carbonyl)-6-methylpiperidine-3-carboxylic acid has a molecular weight of 326.78 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-6-ethoxypyridine-3-carbonyl)-6-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122112919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).