methyl 6-(3,5-dimethylpiperidine-1-carbonyl)pyridine-3-carboxylate

C15H20N2O3 — CID 42945586

IUPACmethyl 6-(3,5-dimethylpiperidine-1-carbonyl)pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C(=O)N2CC(C)CC(C)C2)nc1
InChIInChI=1S/C15H20N2O3/c1-10-6-11(2)9-17(8-10)14(18)13-5-4-12(7-16-13)15(19)20-3/h4-5,7,10-11H,6,8-9H2,1-3H3
InChIKeyHXAKRAQFGLXYLO-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.99
Rot. Bonds2

About methyl 6-(3,5-dimethylpiperidine-1-carbonyl)pyridine-3-carboxylate

methyl 6-(3,5-dimethylpiperidine-1-carbonyl)pyridine-3-carboxylate (PubChem CID 42945586) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is methyl 6-(3,5-dimethylpiperidine-1-carbonyl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(3,5-dimethylpiperidine-1-carbonyl)pyridine-3-carboxylate
PubChem CID42945586
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Namemethyl 6-(3,5-dimethylpiperidine-1-carbonyl)pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C(=O)N2CC(C)CC(C)C2)nc1
InChIInChI=1S/C15H20N2O3/c1-10-6-11(2)9-17(8-10)14(18)13-5-4-12(7-16-13)15(19)20-3/h4-5,7,10-11H,6,8-9H2,1-3H3
InChIKeyHXAKRAQFGLXYLO-UHFFFAOYSA-N
XLogP1.99
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 6-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]pyridine-3-carboxylate
CID 31703991
6-(3,5-dimethylpiperidine-1-carbonyl)-N'-hydroxypyridine-3-carboximidamide
CID 77005377
methyl 6-[3-[(2-methylpropan-2-yl)oxycarbonylamino]azetidine-1-carbonyl]pyridine-3-carboxylate
CID 177042378
methyl 6-[(3aS,6aR)-3-oxo-3a,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-5-carbonyl]pyridine-3-carboxylate
CID 163307577
methyl 6-(4-benzoylpiperidine-1-carbonyl)pyridine-3-carboxylate
CID 33364889
(3,5-dimethylpiperidin-1-yl)-(5-methylpyrazin-2-yl)methanone
CID 42910146
(3,5-dimethylpiperidin-1-yl)-(6-hydrazinyl-3-pyridinyl)methanone
CID 62247413
methyl 6-[3-(4-propan-2-ylanilino)piperidine-1-carbonyl]pyridine-3-carboxylate
CID 24792970
methyl 6-[2-(5-methylpyrazine-2-carbonyl)pyrazolidine-1-carbonyl]pyridine-3-carboxylate
CID 3777676
(5-chloropyrazin-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 103803161
methyl 4-[[5-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]-1,2,4-oxadiazol-3-yl]methoxy]benzoate
CID 39351393
6-(3,4-dimethylpyrrolidine-1-carbonyl)pyridine-3-carbothioamide
CID 79181657

Frequently Asked Questions

What is the IUPAC name of methyl 6-(3,5-dimethylpiperidine-1-carbonyl)pyridine-3-carboxylate?
The IUPAC name of methyl 6-(3,5-dimethylpiperidine-1-carbonyl)pyridine-3-carboxylate (CID 42945586) is methyl 6-(3,5-dimethylpiperidine-1-carbonyl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-(3,5-dimethylpiperidine-1-carbonyl)pyridine-3-carboxylate?
The canonical SMILES for methyl 6-(3,5-dimethylpiperidine-1-carbonyl)pyridine-3-carboxylate is COC(=O)c1ccc(C(=O)N2CC(C)CC(C)C2)nc1.
What is the InChIKey of methyl 6-(3,5-dimethylpiperidine-1-carbonyl)pyridine-3-carboxylate?
The InChIKey is HXAKRAQFGLXYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10-6-11(2)9-17(8-10)14(18)13-5-4-12(7-16-13)15(19)20-3/h4-5,7,10-11H,6,8-9H2,1-3H3.
What are the key properties of methyl 6-(3,5-dimethylpiperidine-1-carbonyl)pyridine-3-carboxylate?
methyl 6-(3,5-dimethylpiperidine-1-carbonyl)pyridine-3-carboxylate has a molecular weight of 276.34 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(3,5-dimethylpiperidine-1-carbonyl)pyridine-3-carboxylate is sourced from PubChem (CID 42945586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).