benzyl 4-[(5-methyl-2-oxo-1H-pyridin-4-yl)oxy]piperidine-1-carboxylate

C19H22N2O4 — CID 67367290

IUPACbenzyl 4-[(5-methyl-2-oxo-1H-pyridin-4-yl)oxy]piperidine-1-carboxylate
SMILESCc1c[nH]c(=O)cc1OC1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C19H22N2O4/c1-14-12-20-18(22)11-17(14)25-16-7-9-21(10-8-16)19(23)24-13-15-5-3-2-4-6-15/h2-6,11-12,16H,7-10,13H2,1H3,(H,20,22)
InChIKeyXKNYDVVTTHFDDX-UHFFFAOYSA-N
MW342.39 g/mol
LogP2.86
Rot. Bonds4

About benzyl 4-[(5-methyl-2-oxo-1H-pyridin-4-yl)oxy]piperidine-1-carboxylate

benzyl 4-[(5-methyl-2-oxo-1H-pyridin-4-yl)oxy]piperidine-1-carboxylate (PubChem CID 67367290) has the molecular formula C19H22N2O4 and a molecular weight of 342.39 g/mol. Its IUPAC name is benzyl 4-[(5-methyl-2-oxo-1H-pyridin-4-yl)oxy]piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-[(5-methyl-2-oxo-1H-pyridin-4-yl)oxy]piperidine-1-carboxylate
PubChem CID67367290
Molecular FormulaC19H22N2O4
Molecular Weight342.39 g/mol
Exact Mass342.16
IUPAC Namebenzyl 4-[(5-methyl-2-oxo-1H-pyridin-4-yl)oxy]piperidine-1-carboxylate
SMILESCc1c[nH]c(=O)cc1OC1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C19H22N2O4/c1-14-12-20-18(22)11-17(14)25-16-7-9-21(10-8-16)19(23)24-13-15-5-3-2-4-6-15/h2-6,11-12,16H,7-10,13H2,1H3,(H,20,22)
InChIKeyXKNYDVVTTHFDDX-UHFFFAOYSA-N
XLogP2.86
TPSA71.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of benzyl 4-[(5-methyl-2-oxo-1H-pyridin-4-yl)oxy]piperidine-1-carboxylate?
The IUPAC name of benzyl 4-[(5-methyl-2-oxo-1H-pyridin-4-yl)oxy]piperidine-1-carboxylate (CID 67367290) is benzyl 4-[(5-methyl-2-oxo-1H-pyridin-4-yl)oxy]piperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-[(5-methyl-2-oxo-1H-pyridin-4-yl)oxy]piperidine-1-carboxylate?
The canonical SMILES for benzyl 4-[(5-methyl-2-oxo-1H-pyridin-4-yl)oxy]piperidine-1-carboxylate is Cc1c[nH]c(=O)cc1OC1CCN(C(=O)OCc2ccccc2)CC1.
What is the InChIKey of benzyl 4-[(5-methyl-2-oxo-1H-pyridin-4-yl)oxy]piperidine-1-carboxylate?
The InChIKey is XKNYDVVTTHFDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-14-12-20-18(22)11-17(14)25-16-7-9-21(10-8-16)19(23)24-13-15-5-3-2-4-6-15/h2-6,11-12,16H,7-10,13H2,1H3,(H,20,22).
What are the key properties of benzyl 4-[(5-methyl-2-oxo-1H-pyridin-4-yl)oxy]piperidine-1-carboxylate?
benzyl 4-[(5-methyl-2-oxo-1H-pyridin-4-yl)oxy]piperidine-1-carboxylate has a molecular weight of 342.39 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-[(5-methyl-2-oxo-1H-pyridin-4-yl)oxy]piperidine-1-carboxylate is sourced from PubChem (CID 67367290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).