1-methyl-4-[(4-phenoxypiperidin-1-yl)methyl]pyridin-2-one

C18H22N2O2 — CID 47545020

IUPAC1-methyl-4-[(4-phenoxypiperidin-1-yl)methyl]pyridin-2-one
SMILESCn1ccc(CN2CCC(Oc3ccccc3)CC2)cc1=O
InChIInChI=1S/C18H22N2O2/c1-19-10-7-15(13-18(19)21)14-20-11-8-17(9-12-20)22-16-5-3-2-4-6-16/h2-7,10,13,17H,8-9,11-12,14H2,1H3
InChIKeyLDYMDGQJTKPZJU-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.43
Rot. Bonds4

About 1-methyl-4-[(4-phenoxypiperidin-1-yl)methyl]pyridin-2-one

1-methyl-4-[(4-phenoxypiperidin-1-yl)methyl]pyridin-2-one (PubChem CID 47545020) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-methyl-4-[(4-phenoxypiperidin-1-yl)methyl]pyridin-2-one.

Molecular Properties

Compound Name1-methyl-4-[(4-phenoxypiperidin-1-yl)methyl]pyridin-2-one
PubChem CID47545020
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name1-methyl-4-[(4-phenoxypiperidin-1-yl)methyl]pyridin-2-one
SMILESCn1ccc(CN2CCC(Oc3ccccc3)CC2)cc1=O
InChIInChI=1S/C18H22N2O2/c1-19-10-7-15(13-18(19)21)14-20-11-8-17(9-12-20)22-16-5-3-2-4-6-16/h2-7,10,13,17H,8-9,11-12,14H2,1H3
InChIKeyLDYMDGQJTKPZJU-UHFFFAOYSA-N
XLogP2.43
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridin-2-one
CID 54764158
1-methyl-4-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridin-2-one
CID 11515374
(E)-3-[4-(1-phenylethoxy)phenyl]-1-piperidin-1-ylbut-2-en-1-one
CID 10641542
1-[4-(2-Phenoxyethyl)piperidin-1-YL]ethan-1-one
CID 53150715
(2E,4E)-5-(4-cyclopentyloxyphenyl)-1-piperidin-1-ylpenta-2,4-dien-1-one
CID 137646304
US9994525, Example 3
CID 86299783
4,6-Dimethyl-2-oxo-1-(3-phenoxypropyl)pyridine-3-carboxamide
CID 40043657
4-[[4-(2-Ethoxyphenoxy)piperidin-1-yl]methyl]-1-methylpyridin-2-one
CID 47533245
DC-TEADin1072
CID 53150712
5-({4-[2-(4-Fluorophenoxy)acetyl]piperazin-1-YL}methyl)-1-methyl-1,2-dihydropyridin-2-one
CID 53191719
3-[4-(4-methoxyphenoxy)piperidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
CID 53506950
3-[4-(phenoxymethyl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 56818973

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(4-phenoxypiperidin-1-yl)methyl]pyridin-2-one?
The IUPAC name of 1-methyl-4-[(4-phenoxypiperidin-1-yl)methyl]pyridin-2-one (CID 47545020) is 1-methyl-4-[(4-phenoxypiperidin-1-yl)methyl]pyridin-2-one.
What is the SMILES notation for 1-methyl-4-[(4-phenoxypiperidin-1-yl)methyl]pyridin-2-one?
The canonical SMILES for 1-methyl-4-[(4-phenoxypiperidin-1-yl)methyl]pyridin-2-one is Cn1ccc(CN2CCC(Oc3ccccc3)CC2)cc1=O.
What is the InChIKey of 1-methyl-4-[(4-phenoxypiperidin-1-yl)methyl]pyridin-2-one?
The InChIKey is LDYMDGQJTKPZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-19-10-7-15(13-18(19)21)14-20-11-8-17(9-12-20)22-16-5-3-2-4-6-16/h2-7,10,13,17H,8-9,11-12,14H2,1H3.
What are the key properties of 1-methyl-4-[(4-phenoxypiperidin-1-yl)methyl]pyridin-2-one?
1-methyl-4-[(4-phenoxypiperidin-1-yl)methyl]pyridin-2-one has a molecular weight of 298.39 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(4-phenoxypiperidin-1-yl)methyl]pyridin-2-one is sourced from PubChem (CID 47545020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).