tert-butyl 5-[(3-methoxy-4-methyl-2-pyridinyl)oxy]-2-methylpiperidine-1-carboxylate

C18H28N2O4 — CID 123997862

IUPACtert-butyl 5-[(3-methoxy-4-methyl-2-pyridinyl)oxy]-2-methylpiperidine-1-carboxylate
SMILESCOc1c(C)ccnc1OC1CCC(C)N(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C18H28N2O4/c1-12-9-10-19-16(15(12)22-6)23-14-8-7-13(2)20(11-14)17(21)24-18(3,4)5/h9-10,13-14H,7-8,11H2,1-6H3
InChIKeyJGVTWFYNSLXJKS-UHFFFAOYSA-N
MW336.43 g/mol
LogP3.57
Rot. Bonds3

About tert-butyl 5-[(3-methoxy-4-methyl-2-pyridinyl)oxy]-2-methylpiperidine-1-carboxylate

tert-butyl 5-[(3-methoxy-4-methyl-2-pyridinyl)oxy]-2-methylpiperidine-1-carboxylate (PubChem CID 123997862) has the molecular formula C18H28N2O4 and a molecular weight of 336.43 g/mol. Its IUPAC name is tert-butyl 5-[(3-methoxy-4-methyl-2-pyridinyl)oxy]-2-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-[(3-methoxy-4-methyl-2-pyridinyl)oxy]-2-methylpiperidine-1-carboxylate
PubChem CID123997862
Molecular FormulaC18H28N2O4
Molecular Weight336.43 g/mol
Exact Mass336.20
IUPAC Nametert-butyl 5-[(3-methoxy-4-methyl-2-pyridinyl)oxy]-2-methylpiperidine-1-carboxylate
SMILESCOc1c(C)ccnc1OC1CCC(C)N(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C18H28N2O4/c1-12-9-10-19-16(15(12)22-6)23-14-8-7-13(2)20(11-14)17(21)24-18(3,4)5/h9-10,13-14H,7-8,11H2,1-6H3
InChIKeyJGVTWFYNSLXJKS-UHFFFAOYSA-N
XLogP3.57
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

methyl 4-iodo-2-[6-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]oxypyridine-3-carboxylate
CID 90102185
tert-butyl (2R,5R)-5-(1,1-dimethyl-3-oxofuro[3,4-c]pyridin-4-yl)oxy-2-methylpiperidine-1-carboxylate
CID 118192296
tert-butyl (2S,5R)-2-methyl-5-[(2-methyl-4-pyridinyl)methyl]piperidine-1-carboxylate
CID 163906007
3-methoxy-2-[(3R,6R)-6-methyl-1-[3-methyl-2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-4-carbonitrile
CID 74222164
3-methoxy-2-[(3R,6R)-6-methyl-1-(2-pyrimidin-2-ylbenzoyl)piperidin-3-yl]oxypyridine-4-carbonitrile
CID 118435980
tert-butyl (3S)-3-(3-methylpyrazin-2-yl)oxypiperidine-1-carboxylate
CID 71634822
tert-butyl 3-isoquinolin-1-yloxypiperidine-1-carboxylate
CID 118114502
ethane;methyl 4-methyl-2-[(6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-3-carboxylate
CID 144739570
potassium;tert-butyl (2R,5R)-5-hydroxy-2-methylpiperidine-1-carboxylate;2-fluoro-4-iodo-3-methoxypyridine;4-iodo-3-methoxy-2-[(3R,6R)-6-methylpiperidin-3-yl]oxypyridine;[(2R,5R)-5-[(4-iodo-3-methoxy-2-pyridinyl)oxy]-2-methylpiperidin-1-yl]-(6-methoxy-2-pyrimidin-2-yl-3-pyridinyl)methanone;6-methoxy-2-pyrimidin-2-ylpyridine-3-carboxylate
CID 162253075
tert-butyl (2S,4R)-4-(6-methoxypyrimidin-4-yl)oxy-2-methylpyrrolidine-1-carboxylate
CID 147795105
methyl 4-methyl-2-[6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-3-carboxylate
CID 123392683
methyl 4-methyl-2-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]oxypyridine-3-carboxylate
CID 90241857

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-[(3-methoxy-4-methyl-2-pyridinyl)oxy]-2-methylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 5-[(3-methoxy-4-methyl-2-pyridinyl)oxy]-2-methylpiperidine-1-carboxylate (CID 123997862) is tert-butyl 5-[(3-methoxy-4-methyl-2-pyridinyl)oxy]-2-methylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 5-[(3-methoxy-4-methyl-2-pyridinyl)oxy]-2-methylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 5-[(3-methoxy-4-methyl-2-pyridinyl)oxy]-2-methylpiperidine-1-carboxylate is COc1c(C)ccnc1OC1CCC(C)N(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 5-[(3-methoxy-4-methyl-2-pyridinyl)oxy]-2-methylpiperidine-1-carboxylate?
The InChIKey is JGVTWFYNSLXJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4/c1-12-9-10-19-16(15(12)22-6)23-14-8-7-13(2)20(11-14)17(21)24-18(3,4)5/h9-10,13-14H,7-8,11H2,1-6H3.
What are the key properties of tert-butyl 5-[(3-methoxy-4-methyl-2-pyridinyl)oxy]-2-methylpiperidine-1-carboxylate?
tert-butyl 5-[(3-methoxy-4-methyl-2-pyridinyl)oxy]-2-methylpiperidine-1-carboxylate has a molecular weight of 336.43 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-[(3-methoxy-4-methyl-2-pyridinyl)oxy]-2-methylpiperidine-1-carboxylate is sourced from PubChem (CID 123997862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).