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

C25H27N3O2 — CID 58522828

IUPAC6-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-5-pyridin-2-yl-2H-pyridin-3-one
SMILESO=C1C=C(c2ccccn2)C(c2ccc(OC3CCN(C4CCC4)CC3)cc2)=NC1
InChIInChI=1S/C25H27N3O2/c29-20-16-23(24-6-1-2-13-26-24)25(27-17-20)18-7-9-21(10-8-18)30-22-11-14-28(15-12-22)19-4-3-5-19/h1-2,6-10,13,16,19,22H,3-5,11-12,14-15,17H2
InChIKeyQIDSECNBFIJQPY-UHFFFAOYSA-N
MW401.51 g/mol
LogP3.93
Rot. Bonds5

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

6-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-5-pyridin-2-yl-2H-pyridin-3-one (PubChem CID 58522828) has the molecular formula C25H27N3O2 and a molecular weight of 401.51 g/mol. Its IUPAC name is 6-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-5-pyridin-2-yl-2H-pyridin-3-one.

Molecular Properties

Compound Name6-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-5-pyridin-2-yl-2H-pyridin-3-one
PubChem CID58522828
Molecular FormulaC25H27N3O2
Molecular Weight401.51 g/mol
Exact Mass401.21
IUPAC Name6-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-5-pyridin-2-yl-2H-pyridin-3-one
SMILESO=C1C=C(c2ccccn2)C(c2ccc(OC3CCN(C4CCC4)CC3)cc2)=NC1
InChIInChI=1S/C25H27N3O2/c29-20-16-23(24-6-1-2-13-26-24)25(27-17-20)18-7-9-21(10-8-18)30-22-11-14-28(15-12-22)19-4-3-5-19/h1-2,6-10,13,16,19,22H,3-5,11-12,14-15,17H2
InChIKeyQIDSECNBFIJQPY-UHFFFAOYSA-N
XLogP3.93
TPSA54.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-4,5-dihydro-2H-pyridin-3-one
CID 58522853
5-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-6-methyl-2-pyridin-2-ylpyridazin-3-one
CID 24996645
4-(1-cyclobutylpiperidin-4-yl)oxy-N-(pyridin-2-ylmethyl)benzamide
CID 42395577
3-[4-[(3R)-1-cyclobutylpyrrolidin-3-yl]oxyphenyl]-1H-pyridazin-6-one
CID 24993806
2-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-3-methyl-2,3-dihydro-[1,4]oxathiino[3,2-b]pyridine 4,4-dioxide
CID 68710362
4-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]benzonitrile
CID 143692391
1-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]piperidin-4-one
CID 66784665
1-cyclobutyl-4-[1-(4-pyridin-2-ylphenyl)sulfinyl-4,5-dihydroimidazol-2-yl]piperazine;formonitrile
CID 145118389
3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-2-methylquinazolin-4-one
CID 11501983
4-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-1-propan-2-ylpyridin-2-one
CID 11710659
2-(4-pyridin-2-ylphenoxy)cyclopentan-1-amine
CID 117051665
3-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-6-fluoro-2-methylpyridine
CID 68789971

Frequently Asked Questions

What is the IUPAC name of 6-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-5-pyridin-2-yl-2H-pyridin-3-one?
The IUPAC name of 6-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-5-pyridin-2-yl-2H-pyridin-3-one (CID 58522828) is 6-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-5-pyridin-2-yl-2H-pyridin-3-one.
What is the SMILES notation for 6-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-5-pyridin-2-yl-2H-pyridin-3-one?
The canonical SMILES for 6-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-5-pyridin-2-yl-2H-pyridin-3-one is O=C1C=C(c2ccccn2)C(c2ccc(OC3CCN(C4CCC4)CC3)cc2)=NC1.
What is the InChIKey of 6-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-5-pyridin-2-yl-2H-pyridin-3-one?
The InChIKey is QIDSECNBFIJQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O2/c29-20-16-23(24-6-1-2-13-26-24)25(27-17-20)18-7-9-21(10-8-18)30-22-11-14-28(15-12-22)19-4-3-5-19/h1-2,6-10,13,16,19,22H,3-5,11-12,14-15,17H2.
What are the key properties of 6-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-5-pyridin-2-yl-2H-pyridin-3-one?
6-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-5-pyridin-2-yl-2H-pyridin-3-one has a molecular weight of 401.51 g/mol, XLogP of 3.93, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-5-pyridin-2-yl-2H-pyridin-3-one is sourced from PubChem (CID 58522828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).