methyl 6-[(4-cyano-4-methylpiperidin-1-yl)methyl]pyridine-3-carboxylate

C15H19N3O2 — CID 107160829

IUPACmethyl 6-[(4-cyano-4-methylpiperidin-1-yl)methyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(CN2CCC(C)(C#N)CC2)nc1
InChIInChI=1S/C15H19N3O2/c1-15(11-16)5-7-18(8-6-15)10-13-4-3-12(9-17-13)14(19)20-2/h3-4,9H,5-8,10H2,1-2H3
InChIKeyRQSMKLFTEHDOKH-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.99
Rot. Bonds3

About methyl 6-[(4-cyano-4-methylpiperidin-1-yl)methyl]pyridine-3-carboxylate

methyl 6-[(4-cyano-4-methylpiperidin-1-yl)methyl]pyridine-3-carboxylate (PubChem CID 107160829) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is methyl 6-[(4-cyano-4-methylpiperidin-1-yl)methyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(4-cyano-4-methylpiperidin-1-yl)methyl]pyridine-3-carboxylate
PubChem CID107160829
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Namemethyl 6-[(4-cyano-4-methylpiperidin-1-yl)methyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(CN2CCC(C)(C#N)CC2)nc1
InChIInChI=1S/C15H19N3O2/c1-15(11-16)5-7-18(8-6-15)10-13-4-3-12(9-17-13)14(19)20-2/h3-4,9H,5-8,10H2,1-2H3
InChIKeyRQSMKLFTEHDOKH-UHFFFAOYSA-N
XLogP1.99
TPSA66.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 6-[(4-cyano-4-methylpiperidin-1-yl)methyl]pyridine-3-carboxylate 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

methyl 6-[[3-(methylamino)pyrrolidin-1-yl]methyl]pyridine-3-carboxylate
CID 113282021
methyl 6-(chloromethyl)pyridine-3-carboxylate;6-(morpholin-4-ylmethyl)pyridine-3-carboxylic acid
CID 162171346
methyl 6-(chloromethyl)pyridine-3-carboxylate
CID 15331516
ethane;methyl 6-(bromomethyl)pyridine-3-carboxylate
CID 142289362
methyl 6-[4-methyl-1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxylate
CID 162444918
methyl 6-[[4-(4-benzylphthalazin-1-yl)piperazin-1-yl]methyl]pyridine-3-carboxylate
CID 59240637
2-[2-[(4-cyano-4-methylpiperidin-1-yl)methyl]phenyl]acetic acid
CID 107160855
methyl 6-[[4-(ethylaminomethyl)imidazol-1-yl]methyl]pyridine-3-carboxylate
CID 106718863
methyl 4-[6-(morpholin-4-ylmethyl)-3-pyridinyl]-4-oxobutanoate
CID 11266319
methyl 6-(acetyloxymethyl)pyridine-3-carboxylate
CID 10353032
methyl 6-[(5-bromo-2-cyclopropyl-6-oxopyrimidin-1-yl)methyl]pyridine-3-carboxylate
CID 178112022
methyl 4-[(4-hydrazinyl-4-methylpiperidin-1-yl)methyl]benzoate
CID 123447312

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(4-cyano-4-methylpiperidin-1-yl)methyl]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[(4-cyano-4-methylpiperidin-1-yl)methyl]pyridine-3-carboxylate (CID 107160829) is methyl 6-[(4-cyano-4-methylpiperidin-1-yl)methyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[(4-cyano-4-methylpiperidin-1-yl)methyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[(4-cyano-4-methylpiperidin-1-yl)methyl]pyridine-3-carboxylate is COC(=O)c1ccc(CN2CCC(C)(C#N)CC2)nc1.
What is the InChIKey of methyl 6-[(4-cyano-4-methylpiperidin-1-yl)methyl]pyridine-3-carboxylate?
The InChIKey is RQSMKLFTEHDOKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-15(11-16)5-7-18(8-6-15)10-13-4-3-12(9-17-13)14(19)20-2/h3-4,9H,5-8,10H2,1-2H3.
What are the key properties of methyl 6-[(4-cyano-4-methylpiperidin-1-yl)methyl]pyridine-3-carboxylate?
methyl 6-[(4-cyano-4-methylpiperidin-1-yl)methyl]pyridine-3-carboxylate has a molecular weight of 273.34 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(4-cyano-4-methylpiperidin-1-yl)methyl]pyridine-3-carboxylate is sourced from PubChem (CID 107160829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).