3-[4-(phenoxymethyl)piperidine-1-carbonyl]-1H-pyridin-2-one

C18H20N2O3 — CID 56818973

IUPAC3-[4-(phenoxymethyl)piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1ccc[nH]c1=O)N1CCC(COc2ccccc2)CC1
InChIInChI=1S/C18H20N2O3/c21-17-16(7-4-10-19-17)18(22)20-11-8-14(9-12-20)13-23-15-5-2-1-3-6-15/h1-7,10,14H,8-9,11-13H2,(H,19,21)
InChIKeyLIDYUYAWGOTMSK-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.31
Rot. Bonds4

About 3-[4-(phenoxymethyl)piperidine-1-carbonyl]-1H-pyridin-2-one

3-[4-(phenoxymethyl)piperidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 56818973) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 3-[4-(phenoxymethyl)piperidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[4-(phenoxymethyl)piperidine-1-carbonyl]-1H-pyridin-2-one
PubChem CID56818973
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name3-[4-(phenoxymethyl)piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1ccc[nH]c1=O)N1CCC(COc2ccccc2)CC1
InChIInChI=1S/C18H20N2O3/c21-17-16(7-4-10-19-17)18(22)20-11-8-14(9-12-20)13-23-15-5-2-1-3-6-15/h1-7,10,14H,8-9,11-13H2,(H,19,21)
InChIKeyLIDYUYAWGOTMSK-UHFFFAOYSA-N
XLogP2.31
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(phenoxymethyl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 3-[4-(phenoxymethyl)piperidine-1-carbonyl]-1H-pyridin-2-one (CID 56818973) is 3-[4-(phenoxymethyl)piperidine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-[4-(phenoxymethyl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 3-[4-(phenoxymethyl)piperidine-1-carbonyl]-1H-pyridin-2-one is O=C(c1ccc[nH]c1=O)N1CCC(COc2ccccc2)CC1.
What is the InChIKey of 3-[4-(phenoxymethyl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is LIDYUYAWGOTMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c21-17-16(7-4-10-19-17)18(22)20-11-8-14(9-12-20)13-23-15-5-2-1-3-6-15/h1-7,10,14H,8-9,11-13H2,(H,19,21).
What are the key properties of 3-[4-(phenoxymethyl)piperidine-1-carbonyl]-1H-pyridin-2-one?
3-[4-(phenoxymethyl)piperidine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 312.37 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(phenoxymethyl)piperidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 56818973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).