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

C18H20N2O4 — CID 67366192

IUPACbenzyl 4-[(2-oxo-1H-pyridin-4-yl)oxy]piperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC(Oc2cc[nH]c(=O)c2)CC1
InChIInChI=1S/C18H20N2O4/c21-17-12-16(6-9-19-17)24-15-7-10-20(11-8-15)18(22)23-13-14-4-2-1-3-5-14/h1-6,9,12,15H,7-8,10-11,13H2,(H,19,21)
InChIKeyXDUXAQZOMRCSPY-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.55
Rot. Bonds4

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

benzyl 4-[(2-oxo-1H-pyridin-4-yl)oxy]piperidine-1-carboxylate (PubChem CID 67366192) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is benzyl 4-[(2-oxo-1H-pyridin-4-yl)oxy]piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-[(2-oxo-1H-pyridin-4-yl)oxy]piperidine-1-carboxylate
PubChem CID67366192
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Namebenzyl 4-[(2-oxo-1H-pyridin-4-yl)oxy]piperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC(Oc2cc[nH]c(=O)c2)CC1
InChIInChI=1S/C18H20N2O4/c21-17-12-16(6-9-19-17)24-15-7-10-20(11-8-15)18(22)23-13-14-4-2-1-3-5-14/h1-6,9,12,15H,7-8,10-11,13H2,(H,19,21)
InChIKeyXDUXAQZOMRCSPY-UHFFFAOYSA-N
XLogP2.55
TPSA71.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of benzyl 4-[(2-oxo-1H-pyridin-4-yl)oxy]piperidine-1-carboxylate?
The IUPAC name of benzyl 4-[(2-oxo-1H-pyridin-4-yl)oxy]piperidine-1-carboxylate (CID 67366192) is benzyl 4-[(2-oxo-1H-pyridin-4-yl)oxy]piperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-[(2-oxo-1H-pyridin-4-yl)oxy]piperidine-1-carboxylate?
The canonical SMILES for benzyl 4-[(2-oxo-1H-pyridin-4-yl)oxy]piperidine-1-carboxylate is O=C(OCc1ccccc1)N1CCC(Oc2cc[nH]c(=O)c2)CC1.
What is the InChIKey of benzyl 4-[(2-oxo-1H-pyridin-4-yl)oxy]piperidine-1-carboxylate?
The InChIKey is XDUXAQZOMRCSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c21-17-12-16(6-9-19-17)24-15-7-10-20(11-8-15)18(22)23-13-14-4-2-1-3-5-14/h1-6,9,12,15H,7-8,10-11,13H2,(H,19,21).
What are the key properties of benzyl 4-[(2-oxo-1H-pyridin-4-yl)oxy]piperidine-1-carboxylate?
benzyl 4-[(2-oxo-1H-pyridin-4-yl)oxy]piperidine-1-carboxylate has a molecular weight of 328.37 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-[(2-oxo-1H-pyridin-4-yl)oxy]piperidine-1-carboxylate is sourced from PubChem (CID 67366192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).