methyl 4-[(2S,4S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypyridine-2-carboxylate

C18H26N2O5 — CID 164602078

IUPACmethyl 4-[(2S,4S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypyridine-2-carboxylate
SMILESCOC(=O)c1cc(O[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)ccn1
InChIInChI=1S/C18H26N2O5/c1-12-10-14(7-9-20(12)17(22)25-18(2,3)4)24-13-6-8-19-15(11-13)16(21)23-5/h6,8,11-12,14H,7,9-10H2,1-5H3/t12-,14-/m0/s1
InChIKeyIVWOGBZYJGKGGD-JSGCOSHPSA-N
MW350.42 g/mol
LogP3.04
Rot. Bonds3

About methyl 4-[(2S,4S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypyridine-2-carboxylate

methyl 4-[(2S,4S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypyridine-2-carboxylate (PubChem CID 164602078) has the molecular formula C18H26N2O5 and a molecular weight of 350.42 g/mol. Its IUPAC name is methyl 4-[(2S,4S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(2S,4S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypyridine-2-carboxylate
PubChem CID164602078
Molecular FormulaC18H26N2O5
Molecular Weight350.42 g/mol
Exact Mass350.18
IUPAC Namemethyl 4-[(2S,4S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypyridine-2-carboxylate
SMILESCOC(=O)c1cc(O[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)ccn1
InChIInChI=1S/C18H26N2O5/c1-12-10-14(7-9-20(12)17(22)25-18(2,3)4)24-13-6-8-19-15(11-13)16(21)23-5/h6,8,11-12,14H,7,9-10H2,1-5H3/t12-,14-/m0/s1
InChIKeyIVWOGBZYJGKGGD-JSGCOSHPSA-N
XLogP3.04
TPSA77.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 4-[(2S,4S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypyridine-2-carboxylate with MolForge

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Related Compounds

tert-butyl (2S,4R)-4-(1-benzylpyridin-1-ium-4-yl)oxy-2-methylpiperidine-1-carboxylate
CID 178161354
tert-butyl 4-(4-methoxycarbonylphenyl)-2-methylpiperidine-1-carboxylate
CID 177300820
1-O-tert-butyl 2-O-methyl (2R,4S)-4-[[2-[(4-chloro-2-fluorophenoxy)methyl]-4-pyridinyl]oxy]piperidine-1,2-dicarboxylate
CID 176899215
tert-butyl (3S)-3-[[2-(hydroxymethyl)-4-pyridinyl]oxy]pyrrolidine-1-carboxylate
CID 166114212
methyl 4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]pyridine-2-carboxylate
CID 164602310
tert-butyl 2-methyl-4-(2-methylbenzoyl)oxypiperidine-1-carboxylate
CID 175474929
1-O-tert-butyl 2-O-methyl (2R)-4-(4-fluorophenoxy)piperidine-1,2-dicarboxylate
CID 176761508
methyl 4-[(6-methoxycarbonyl-1,2,3,4-tetrahydronaphthalen-2-yl)oxy]pyridine-2-carboxylate
CID 58055565
tert-butyl (2S,4R)-2-iodo-4-[(2-methyl-4-pyridinyl)oxy]pyrrolidine-1-carboxylate
CID 156738688
tert-butyl 2-(3-methoxycarbonylphenoxy)azetidine-1-carboxylate
CID 175987681
tert-butyl (2S,4R)-4-(6-methoxypyrimidin-4-yl)oxy-2-methylpyrrolidine-1-carboxylate
CID 147795105
tert-butyl (2S,4S)-4-[2-[(4-cyano-2-fluorophenoxy)methyl]pyrimidin-4-yl]oxy-2-methylpiperidine-1-carboxylate
CID 164601488

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2S,4S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypyridine-2-carboxylate?
The IUPAC name of methyl 4-[(2S,4S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypyridine-2-carboxylate (CID 164602078) is methyl 4-[(2S,4S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypyridine-2-carboxylate.
What is the SMILES notation for methyl 4-[(2S,4S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypyridine-2-carboxylate?
The canonical SMILES for methyl 4-[(2S,4S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypyridine-2-carboxylate is COC(=O)c1cc(O[C@H]2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)ccn1.
What is the InChIKey of methyl 4-[(2S,4S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypyridine-2-carboxylate?
The InChIKey is IVWOGBZYJGKGGD-JSGCOSHPSA-N. The full InChI is InChI=1S/C18H26N2O5/c1-12-10-14(7-9-20(12)17(22)25-18(2,3)4)24-13-6-8-19-15(11-13)16(21)23-5/h6,8,11-12,14H,7,9-10H2,1-5H3/t12-,14-/m0/s1.
What are the key properties of methyl 4-[(2S,4S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypyridine-2-carboxylate?
methyl 4-[(2S,4S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypyridine-2-carboxylate has a molecular weight of 350.42 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2S,4S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxypyridine-2-carboxylate is sourced from PubChem (CID 164602078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).