1-phenyl-8-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decan-4-one

C19H22N4O — CID 24735827

IUPAC1-phenyl-8-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decan-4-one
SMILESO=C1NCN(c2ccccc2)C12CCN(Cc1ccccn1)CC2
InChIInChI=1S/C19H22N4O/c24-18-19(23(15-21-18)17-7-2-1-3-8-17)9-12-22(13-10-19)14-16-6-4-5-11-20-16/h1-8,11H,9-10,12-15H2,(H,21,24)
InChIKeyCETJXLHSMTXXPG-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.01
Rot. Bonds3

About 1-phenyl-8-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decan-4-one

1-phenyl-8-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decan-4-one (PubChem CID 24735827) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 1-phenyl-8-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name1-phenyl-8-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decan-4-one
PubChem CID24735827
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name1-phenyl-8-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decan-4-one
SMILESO=C1NCN(c2ccccc2)C12CCN(Cc1ccccn1)CC2
InChIInChI=1S/C19H22N4O/c24-18-19(23(15-21-18)17-7-2-1-3-8-17)9-12-22(13-10-19)14-16-6-4-5-11-20-16/h1-8,11H,9-10,12-15H2,(H,21,24)
InChIKeyCETJXLHSMTXXPG-UHFFFAOYSA-N
XLogP2.01
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-8-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decan-4-one?
The IUPAC name of 1-phenyl-8-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decan-4-one (CID 24735827) is 1-phenyl-8-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decan-4-one.
What is the SMILES notation for 1-phenyl-8-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decan-4-one?
The canonical SMILES for 1-phenyl-8-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decan-4-one is O=C1NCN(c2ccccc2)C12CCN(Cc1ccccn1)CC2.
What is the InChIKey of 1-phenyl-8-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decan-4-one?
The InChIKey is CETJXLHSMTXXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c24-18-19(23(15-21-18)17-7-2-1-3-8-17)9-12-22(13-10-19)14-16-6-4-5-11-20-16/h1-8,11H,9-10,12-15H2,(H,21,24).
What are the key properties of 1-phenyl-8-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decan-4-one?
1-phenyl-8-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decan-4-one has a molecular weight of 322.41 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-8-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decan-4-one is sourced from PubChem (CID 24735827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).