6-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4,5-dihydro-2H-pyridin-3-one

C20H26N2O2 — CID 58522853

IUPAC6-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4,5-dihydro-2H-pyridin-3-one
SMILESO=C1CCC(c2ccc(OC3CCN(C4CCC4)CC3)cc2)=NC1
InChIInChI=1S/C20H26N2O2/c23-17-6-9-20(21-14-17)15-4-7-18(8-5-15)24-19-10-12-22(13-11-19)16-2-1-3-16/h4-5,7-8,16,19H,1-3,6,9-14H2
InChIKeyBAKYIJISIPRLIG-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.23
Rot. Bonds4

About 6-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4,5-dihydro-2H-pyridin-3-one

6-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4,5-dihydro-2H-pyridin-3-one (PubChem CID 58522853) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 6-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4,5-dihydro-2H-pyridin-3-one.

Molecular Properties

Compound Name6-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4,5-dihydro-2H-pyridin-3-one
PubChem CID58522853
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name6-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4,5-dihydro-2H-pyridin-3-one
SMILESO=C1CCC(c2ccc(OC3CCN(C4CCC4)CC3)cc2)=NC1
InChIInChI=1S/C20H26N2O2/c23-17-6-9-20(21-14-17)15-4-7-18(8-5-15)24-19-10-12-22(13-11-19)16-2-1-3-16/h4-5,7-8,16,19H,1-3,6,9-14H2
InChIKeyBAKYIJISIPRLIG-UHFFFAOYSA-N
XLogP3.23
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-[4-(1-cyclobutylpiperidin-4-yl)oxy-3-fluorophenyl]-4,5-dihydro-2H-pyridin-3-one
CID 58522827
1-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]piperidin-4-one
CID 66784665
4-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]benzonitrile
CID 143692391
6-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-5-pyridin-2-yl-2H-pyridin-3-one
CID 58522828
3-[4-[(3R)-1-cyclobutylpyrrolidin-3-yl]oxyphenyl]-1H-pyridazin-6-one
CID 24993806
3-[4-[(3R)-1-cyclohexylpyrrolidin-3-yl]oxyphenyl]-1,4,5,6-tetrahydropyridazine
CID 141200375
4-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-1-propan-2-ylpyridin-2-one
CID 11710659
3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-6-fluoro-2-methylpyridine
CID 68789971
6-[6-(1-cyclobutylpiperidin-4-yl)oxy-3-pyridinyl]-4,4-dimethyl-2,5-dihydropyridin-3-one
CID 58522845
2-[[4-(4-fluorophenoxy)piperidin-1-yl]methyl]-6-(4-fluorophenyl)-4,5-dihydropyridazin-3-one
CID 134242698
1-cyclobutyl-4-(4-nitrophenoxy)piperidine;oxolane
CID 161101282
3-methyl-6-[4-(1-methylpiperidin-4-yl)oxyphenyl]-2,3,4,5-tetrahydropyridine
CID 169114461

Frequently Asked Questions

What is the IUPAC name of 6-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4,5-dihydro-2H-pyridin-3-one?
The IUPAC name of 6-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4,5-dihydro-2H-pyridin-3-one (CID 58522853) is 6-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4,5-dihydro-2H-pyridin-3-one.
What is the SMILES notation for 6-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4,5-dihydro-2H-pyridin-3-one?
The canonical SMILES for 6-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4,5-dihydro-2H-pyridin-3-one is O=C1CCC(c2ccc(OC3CCN(C4CCC4)CC3)cc2)=NC1.
What is the InChIKey of 6-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4,5-dihydro-2H-pyridin-3-one?
The InChIKey is BAKYIJISIPRLIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c23-17-6-9-20(21-14-17)15-4-7-18(8-5-15)24-19-10-12-22(13-11-19)16-2-1-3-16/h4-5,7-8,16,19H,1-3,6,9-14H2.
What are the key properties of 6-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4,5-dihydro-2H-pyridin-3-one?
6-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4,5-dihydro-2H-pyridin-3-one has a molecular weight of 326.44 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4,5-dihydro-2H-pyridin-3-one is sourced from PubChem (CID 58522853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).