methyl 4-methyl-1-[(2R)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-6-oxopyridine-3-carboxylate

C19H28N2O5 — CID 170135346

IUPACmethyl 4-methyl-1-[(2R)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-6-oxopyridine-3-carboxylate
SMILESCOC(=O)c1cn(C2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)c(=O)cc1C
InChIInChI=1S/C19H28N2O5/c1-12-9-16(22)21(11-15(12)17(23)25-6)14-7-8-20(13(2)10-14)18(24)26-19(3,4)5/h9,11,13-14H,7-8,10H2,1-6H3/t13-,14?/m1/s1
InChIKeyZCZSFHNLWGOZCX-KWCCSABGSA-N
MW364.44 g/mol
LogP2.90
Rot. Bonds2

About methyl 4-methyl-1-[(2R)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-6-oxopyridine-3-carboxylate

methyl 4-methyl-1-[(2R)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-6-oxopyridine-3-carboxylate (PubChem CID 170135346) has the molecular formula C19H28N2O5 and a molecular weight of 364.44 g/mol. Its IUPAC name is methyl 4-methyl-1-[(2R)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-6-oxopyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-1-[(2R)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-6-oxopyridine-3-carboxylate
PubChem CID170135346
Molecular FormulaC19H28N2O5
Molecular Weight364.44 g/mol
Exact Mass364.20
IUPAC Namemethyl 4-methyl-1-[(2R)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-6-oxopyridine-3-carboxylate
SMILESCOC(=O)c1cn(C2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)c(=O)cc1C
InChIInChI=1S/C19H28N2O5/c1-12-9-16(22)21(11-15(12)17(23)25-6)14-7-8-20(13(2)10-14)18(24)26-19(3,4)5/h9,11,13-14H,7-8,10H2,1-6H3/t13-,14?/m1/s1
InChIKeyZCZSFHNLWGOZCX-KWCCSABGSA-N
XLogP2.90
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-1-[(2R)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-6-oxopyridine-3-carboxylate?
The IUPAC name of methyl 4-methyl-1-[(2R)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-6-oxopyridine-3-carboxylate (CID 170135346) is methyl 4-methyl-1-[(2R)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-6-oxopyridine-3-carboxylate.
What is the SMILES notation for methyl 4-methyl-1-[(2R)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-6-oxopyridine-3-carboxylate?
The canonical SMILES for methyl 4-methyl-1-[(2R)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-6-oxopyridine-3-carboxylate is COC(=O)c1cn(C2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)c(=O)cc1C.
What is the InChIKey of methyl 4-methyl-1-[(2R)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-6-oxopyridine-3-carboxylate?
The InChIKey is ZCZSFHNLWGOZCX-KWCCSABGSA-N. The full InChI is InChI=1S/C19H28N2O5/c1-12-9-16(22)21(11-15(12)17(23)25-6)14-7-8-20(13(2)10-14)18(24)26-19(3,4)5/h9,11,13-14H,7-8,10H2,1-6H3/t13-,14?/m1/s1.
What are the key properties of methyl 4-methyl-1-[(2R)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-6-oxopyridine-3-carboxylate?
methyl 4-methyl-1-[(2R)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-6-oxopyridine-3-carboxylate has a molecular weight of 364.44 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-1-[(2R)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-6-oxopyridine-3-carboxylate is sourced from PubChem (CID 170135346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).