1,2-bis(2-oxo-2-piperidin-1-ylethyl)-4-phenyl-1,2,4-triazolidine-3,5-dione

C22H29N5O4 — CID 1282759

IUPAC1,2-bis(2-oxo-2-piperidin-1-ylethyl)-4-phenyl-1,2,4-triazolidine-3,5-dione
SMILESO=C(Cn1c(=O)n(-c2ccccc2)c(=O)n1CC(=O)N1CCCCC1)N1CCCCC1
InChIInChI=1S/C22H29N5O4/c28-19(23-12-6-2-7-13-23)16-25-21(30)27(18-10-4-1-5-11-18)22(31)26(25)17-20(29)24-14-8-3-9-15-24/h1,4-5,10-11H,2-3,6-9,12-17H2
InChIKeyLBQCUXUTTHIVQP-UHFFFAOYSA-N
MW427.51 g/mol
LogP0.83
Rot. Bonds5

About 1,2-bis(2-oxo-2-piperidin-1-ylethyl)-4-phenyl-1,2,4-triazolidine-3,5-dione

1,2-bis(2-oxo-2-piperidin-1-ylethyl)-4-phenyl-1,2,4-triazolidine-3,5-dione (PubChem CID 1282759) has the molecular formula C22H29N5O4 and a molecular weight of 427.51 g/mol. Its IUPAC name is 1,2-bis(2-oxo-2-piperidin-1-ylethyl)-4-phenyl-1,2,4-triazolidine-3,5-dione.

Molecular Properties

Compound Name1,2-bis(2-oxo-2-piperidin-1-ylethyl)-4-phenyl-1,2,4-triazolidine-3,5-dione
PubChem CID1282759
Molecular FormulaC22H29N5O4
Molecular Weight427.51 g/mol
Exact Mass427.22
IUPAC Name1,2-bis(2-oxo-2-piperidin-1-ylethyl)-4-phenyl-1,2,4-triazolidine-3,5-dione
SMILESO=C(Cn1c(=O)n(-c2ccccc2)c(=O)n1CC(=O)N1CCCCC1)N1CCCCC1
InChIInChI=1S/C22H29N5O4/c28-19(23-12-6-2-7-13-23)16-25-21(30)27(18-10-4-1-5-11-18)22(31)26(25)17-20(29)24-14-8-3-9-15-24/h1,4-5,10-11H,2-3,6-9,12-17H2
InChIKeyLBQCUXUTTHIVQP-UHFFFAOYSA-N
XLogP0.83
TPSA89.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1,2-bis(2-oxo-2-piperidin-1-ylethyl)-4-phenyl-1,2,4-triazolidine-3,5-dione?
The IUPAC name of 1,2-bis(2-oxo-2-piperidin-1-ylethyl)-4-phenyl-1,2,4-triazolidine-3,5-dione (CID 1282759) is 1,2-bis(2-oxo-2-piperidin-1-ylethyl)-4-phenyl-1,2,4-triazolidine-3,5-dione.
What is the SMILES notation for 1,2-bis(2-oxo-2-piperidin-1-ylethyl)-4-phenyl-1,2,4-triazolidine-3,5-dione?
The canonical SMILES for 1,2-bis(2-oxo-2-piperidin-1-ylethyl)-4-phenyl-1,2,4-triazolidine-3,5-dione is O=C(Cn1c(=O)n(-c2ccccc2)c(=O)n1CC(=O)N1CCCCC1)N1CCCCC1.
What is the InChIKey of 1,2-bis(2-oxo-2-piperidin-1-ylethyl)-4-phenyl-1,2,4-triazolidine-3,5-dione?
The InChIKey is LBQCUXUTTHIVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O4/c28-19(23-12-6-2-7-13-23)16-25-21(30)27(18-10-4-1-5-11-18)22(31)26(25)17-20(29)24-14-8-3-9-15-24/h1,4-5,10-11H,2-3,6-9,12-17H2.
What are the key properties of 1,2-bis(2-oxo-2-piperidin-1-ylethyl)-4-phenyl-1,2,4-triazolidine-3,5-dione?
1,2-bis(2-oxo-2-piperidin-1-ylethyl)-4-phenyl-1,2,4-triazolidine-3,5-dione has a molecular weight of 427.51 g/mol, XLogP of 0.83, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(2-oxo-2-piperidin-1-ylethyl)-4-phenyl-1,2,4-triazolidine-3,5-dione is sourced from PubChem (CID 1282759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).