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

C17H24N2O5 — CID 118037562

IUPACmethyl 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2-oxopyridine-4-carboxylate
SMILESCOC(=O)c1ccn(C2CCN(C(=O)OC(C)(C)C)CC2)c(=O)c1
InChIInChI=1S/C17H24N2O5/c1-17(2,3)24-16(22)18-8-6-13(7-9-18)19-10-5-12(11-14(19)20)15(21)23-4/h5,10-11,13H,6-9H2,1-4H3
InChIKeyANZDKNHVORPDMO-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.21
Rot. Bonds2

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

methyl 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2-oxopyridine-4-carboxylate (PubChem CID 118037562) has the molecular formula C17H24N2O5 and a molecular weight of 336.39 g/mol. Its IUPAC name is methyl 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2-oxopyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2-oxopyridine-4-carboxylate
PubChem CID118037562
Molecular FormulaC17H24N2O5
Molecular Weight336.39 g/mol
Exact Mass336.17
IUPAC Namemethyl 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2-oxopyridine-4-carboxylate
SMILESCOC(=O)c1ccn(C2CCN(C(=O)OC(C)(C)C)CC2)c(=O)c1
InChIInChI=1S/C17H24N2O5/c1-17(2,3)24-16(22)18-8-6-13(7-9-18)19-10-5-12(11-14(19)20)15(21)23-4/h5,10-11,13H,6-9H2,1-4H3
InChIKeyANZDKNHVORPDMO-UHFFFAOYSA-N
XLogP2.21
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2-oxopyridine-4-carboxylate?
The IUPAC name of methyl 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2-oxopyridine-4-carboxylate (CID 118037562) is methyl 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2-oxopyridine-4-carboxylate.
What is the SMILES notation for methyl 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2-oxopyridine-4-carboxylate?
The canonical SMILES for methyl 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2-oxopyridine-4-carboxylate is COC(=O)c1ccn(C2CCN(C(=O)OC(C)(C)C)CC2)c(=O)c1.
What is the InChIKey of methyl 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2-oxopyridine-4-carboxylate?
The InChIKey is ANZDKNHVORPDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O5/c1-17(2,3)24-16(22)18-8-6-13(7-9-18)19-10-5-12(11-14(19)20)15(21)23-4/h5,10-11,13H,6-9H2,1-4H3.
What are the key properties of methyl 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2-oxopyridine-4-carboxylate?
methyl 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2-oxopyridine-4-carboxylate has a molecular weight of 336.39 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2-oxopyridine-4-carboxylate is sourced from PubChem (CID 118037562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).