5-[4-(2-ethoxyphenoxy)piperidine-1-carbonyl]-1H-pyridin-2-one

C19H22N2O4 — CID 51092133

IUPAC5-[4-(2-ethoxyphenoxy)piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESCCOc1ccccc1OC1CCN(C(=O)c2ccc(=O)[nH]c2)CC1
InChIInChI=1S/C19H22N2O4/c1-2-24-16-5-3-4-6-17(16)25-15-9-11-21(12-10-15)19(23)14-7-8-18(22)20-13-14/h3-8,13,15H,2,9-12H2,1H3,(H,20,22)
InChIKeyKAFFODFFWRQPCU-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.46
Rot. Bonds5

About 5-[4-(2-ethoxyphenoxy)piperidine-1-carbonyl]-1H-pyridin-2-one

5-[4-(2-ethoxyphenoxy)piperidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 51092133) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is 5-[4-(2-ethoxyphenoxy)piperidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[4-(2-ethoxyphenoxy)piperidine-1-carbonyl]-1H-pyridin-2-one
PubChem CID51092133
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name5-[4-(2-ethoxyphenoxy)piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESCCOc1ccccc1OC1CCN(C(=O)c2ccc(=O)[nH]c2)CC1
InChIInChI=1S/C19H22N2O4/c1-2-24-16-5-3-4-6-17(16)25-15-9-11-21(12-10-15)19(23)14-7-8-18(22)20-13-14/h3-8,13,15H,2,9-12H2,1H3,(H,20,22)
InChIKeyKAFFODFFWRQPCU-UHFFFAOYSA-N
XLogP2.46
TPSA71.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-ethoxyphenoxy)piperidine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 5-[4-(2-ethoxyphenoxy)piperidine-1-carbonyl]-1H-pyridin-2-one (CID 51092133) is 5-[4-(2-ethoxyphenoxy)piperidine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[4-(2-ethoxyphenoxy)piperidine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 5-[4-(2-ethoxyphenoxy)piperidine-1-carbonyl]-1H-pyridin-2-one is CCOc1ccccc1OC1CCN(C(=O)c2ccc(=O)[nH]c2)CC1.
What is the InChIKey of 5-[4-(2-ethoxyphenoxy)piperidine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is KAFFODFFWRQPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-2-24-16-5-3-4-6-17(16)25-15-9-11-21(12-10-15)19(23)14-7-8-18(22)20-13-14/h3-8,13,15H,2,9-12H2,1H3,(H,20,22).
What are the key properties of 5-[4-(2-ethoxyphenoxy)piperidine-1-carbonyl]-1H-pyridin-2-one?
5-[4-(2-ethoxyphenoxy)piperidine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 342.40 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-ethoxyphenoxy)piperidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 51092133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).