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

C18H26N2O4 — CID 164602310

IUPACmethyl 4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cc(CC2CCN(C(=O)OC(C)(C)C)CC2)ccn1
InChIInChI=1S/C18H26N2O4/c1-18(2,3)24-17(22)20-9-6-13(7-10-20)11-14-5-8-19-15(12-14)16(21)23-4/h5,8,12-13H,6-7,9-11H2,1-4H3
InChIKeyPYLCJHSTEBWRAI-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.06
Rot. Bonds3

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

methyl 4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]pyridine-2-carboxylate (PubChem CID 164602310) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is methyl 4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]pyridine-2-carboxylate
PubChem CID164602310
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Namemethyl 4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cc(CC2CCN(C(=O)OC(C)(C)C)CC2)ccn1
InChIInChI=1S/C18H26N2O4/c1-18(2,3)24-17(22)20-9-6-13(7-10-20)11-14-5-8-19-15(12-14)16(21)23-4/h5,8,12-13H,6-7,9-11H2,1-4H3
InChIKeyPYLCJHSTEBWRAI-UHFFFAOYSA-N
XLogP3.06
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]pyridine-2-carboxylate?
The IUPAC name of methyl 4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]pyridine-2-carboxylate (CID 164602310) is methyl 4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]pyridine-2-carboxylate is COC(=O)c1cc(CC2CCN(C(=O)OC(C)(C)C)CC2)ccn1.
What is the InChIKey of methyl 4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]pyridine-2-carboxylate?
The InChIKey is PYLCJHSTEBWRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-18(2,3)24-17(22)20-9-6-13(7-10-20)11-14-5-8-19-15(12-14)16(21)23-4/h5,8,12-13H,6-7,9-11H2,1-4H3.
What are the key properties of methyl 4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]pyridine-2-carboxylate?
methyl 4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]pyridine-2-carboxylate has a molecular weight of 334.42 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]methyl]pyridine-2-carboxylate is sourced from PubChem (CID 164602310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).