5-[4-(9-cyclobutyl-3,9-diazaspiro[5.5]undecan-3-yl)phenyl]-1-methylpyridin-2-one

C25H33N3O — CID 59818676

IUPAC5-[4-(9-cyclobutyl-3,9-diazaspiro[5.5]undecan-3-yl)phenyl]-1-methylpyridin-2-one
SMILESCn1cc(-c2ccc(N3CCC4(CC3)CCN(C3CCC3)CC4)cc2)ccc1=O
InChIInChI=1S/C25H33N3O/c1-26-19-21(7-10-24(26)29)20-5-8-23(9-6-20)28-17-13-25(14-18-28)11-15-27(16-12-25)22-3-2-4-22/h5-10,19,22H,2-4,11-18H2,1H3
InChIKeyCOSPOKZOFUCCIU-UHFFFAOYSA-N
MW391.56 g/mol
LogP4.29
Rot. Bonds3

About 5-[4-(9-cyclobutyl-3,9-diazaspiro[5.5]undecan-3-yl)phenyl]-1-methylpyridin-2-one

5-[4-(9-cyclobutyl-3,9-diazaspiro[5.5]undecan-3-yl)phenyl]-1-methylpyridin-2-one (PubChem CID 59818676) has the molecular formula C25H33N3O and a molecular weight of 391.56 g/mol. Its IUPAC name is 5-[4-(9-cyclobutyl-3,9-diazaspiro[5.5]undecan-3-yl)phenyl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-[4-(9-cyclobutyl-3,9-diazaspiro[5.5]undecan-3-yl)phenyl]-1-methylpyridin-2-one
PubChem CID59818676
Molecular FormulaC25H33N3O
Molecular Weight391.56 g/mol
Exact Mass391.26
IUPAC Name5-[4-(9-cyclobutyl-3,9-diazaspiro[5.5]undecan-3-yl)phenyl]-1-methylpyridin-2-one
SMILESCn1cc(-c2ccc(N3CCC4(CC3)CCN(C3CCC3)CC4)cc2)ccc1=O
InChIInChI=1S/C25H33N3O/c1-26-19-21(7-10-24(26)29)20-5-8-23(9-6-20)28-17-13-25(14-18-28)11-15-27(16-12-25)22-3-2-4-22/h5-10,19,22H,2-4,11-18H2,1H3
InChIKeyCOSPOKZOFUCCIU-UHFFFAOYSA-N
XLogP4.29
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.56
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(9-cyclobutyl-3,9-diazaspiro[5.5]undecan-3-yl)phenyl]-1-methylpyridin-2-one?
The IUPAC name of 5-[4-(9-cyclobutyl-3,9-diazaspiro[5.5]undecan-3-yl)phenyl]-1-methylpyridin-2-one (CID 59818676) is 5-[4-(9-cyclobutyl-3,9-diazaspiro[5.5]undecan-3-yl)phenyl]-1-methylpyridin-2-one.
What is the SMILES notation for 5-[4-(9-cyclobutyl-3,9-diazaspiro[5.5]undecan-3-yl)phenyl]-1-methylpyridin-2-one?
The canonical SMILES for 5-[4-(9-cyclobutyl-3,9-diazaspiro[5.5]undecan-3-yl)phenyl]-1-methylpyridin-2-one is Cn1cc(-c2ccc(N3CCC4(CC3)CCN(C3CCC3)CC4)cc2)ccc1=O.
What is the InChIKey of 5-[4-(9-cyclobutyl-3,9-diazaspiro[5.5]undecan-3-yl)phenyl]-1-methylpyridin-2-one?
The InChIKey is COSPOKZOFUCCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O/c1-26-19-21(7-10-24(26)29)20-5-8-23(9-6-20)28-17-13-25(14-18-28)11-15-27(16-12-25)22-3-2-4-22/h5-10,19,22H,2-4,11-18H2,1H3.
What are the key properties of 5-[4-(9-cyclobutyl-3,9-diazaspiro[5.5]undecan-3-yl)phenyl]-1-methylpyridin-2-one?
5-[4-(9-cyclobutyl-3,9-diazaspiro[5.5]undecan-3-yl)phenyl]-1-methylpyridin-2-one has a molecular weight of 391.56 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(9-cyclobutyl-3,9-diazaspiro[5.5]undecan-3-yl)phenyl]-1-methylpyridin-2-one is sourced from PubChem (CID 59818676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).