ethyl 6-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]pyridine-2-carboxylate

C20H25N3O2 — CID 162531820

IUPACethyl 6-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]pyridine-2-carboxylate
SMILESCCOC(=O)c1cccc([C@H]2CCC[C@@H](c3ncccc3C)N2C)n1
InChIInChI=1S/C20H25N3O2/c1-4-25-20(24)16-10-5-9-15(22-16)17-11-6-12-18(23(17)3)19-14(2)8-7-13-21-19/h5,7-10,13,17-18H,4,6,11-12H2,1-3H3/t17-,18+/m1/s1
InChIKeyWEMIRFTYGRBUCI-MSOLQXFVSA-N
MW339.44 g/mol
LogP3.86
Rot. Bonds4

About ethyl 6-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]pyridine-2-carboxylate

ethyl 6-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]pyridine-2-carboxylate (PubChem CID 162531820) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is ethyl 6-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]pyridine-2-carboxylate
PubChem CID162531820
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Nameethyl 6-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]pyridine-2-carboxylate
SMILESCCOC(=O)c1cccc([C@H]2CCC[C@@H](c3ncccc3C)N2C)n1
InChIInChI=1S/C20H25N3O2/c1-4-25-20(24)16-10-5-9-15(22-16)17-11-6-12-18(23(17)3)19-14(2)8-7-13-21-19/h5,7-10,13,17-18H,4,6,11-12H2,1-3H3/t17-,18+/m1/s1
InChIKeyWEMIRFTYGRBUCI-MSOLQXFVSA-N
XLogP3.86
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 6-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]pyridine-2-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]pyridine-2-carboxylate?
The IUPAC name of ethyl 6-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]pyridine-2-carboxylate (CID 162531820) is ethyl 6-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 6-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]pyridine-2-carboxylate?
The canonical SMILES for ethyl 6-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]pyridine-2-carboxylate is CCOC(=O)c1cccc([C@H]2CCC[C@@H](c3ncccc3C)N2C)n1.
What is the InChIKey of ethyl 6-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]pyridine-2-carboxylate?
The InChIKey is WEMIRFTYGRBUCI-MSOLQXFVSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-4-25-20(24)16-10-5-9-15(22-16)17-11-6-12-18(23(17)3)19-14(2)8-7-13-21-19/h5,7-10,13,17-18H,4,6,11-12H2,1-3H3/t17-,18+/m1/s1.
What are the key properties of ethyl 6-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]pyridine-2-carboxylate?
ethyl 6-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]pyridine-2-carboxylate has a molecular weight of 339.44 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]pyridine-2-carboxylate is sourced from PubChem (CID 162531820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).