3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]pyrido[1,2-a][1,3,5]triazine-2,4-dione

C21H21FN4O3 — CID 15105373

IUPAC3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]pyrido[1,2-a][1,3,5]triazine-2,4-dione
SMILESO=C(c1ccc(F)cc1)C1CCN(CCn2c(=O)nc3ccccn3c2=O)CC1
InChIInChI=1S/C21H21FN4O3/c22-17-6-4-15(5-7-17)19(27)16-8-11-24(12-9-16)13-14-26-20(28)23-18-3-1-2-10-25(18)21(26)29/h1-7,10,16H,8-9,11-14H2
InChIKeyWFPJISWZJFETGC-UHFFFAOYSA-N
MW396.42 g/mol
LogP1.59
Rot. Bonds5

About 3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]pyrido[1,2-a][1,3,5]triazine-2,4-dione

3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]pyrido[1,2-a][1,3,5]triazine-2,4-dione (PubChem CID 15105373) has the molecular formula C21H21FN4O3 and a molecular weight of 396.42 g/mol. Its IUPAC name is 3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]pyrido[1,2-a][1,3,5]triazine-2,4-dione.

Molecular Properties

Compound Name3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]pyrido[1,2-a][1,3,5]triazine-2,4-dione
PubChem CID15105373
Molecular FormulaC21H21FN4O3
Molecular Weight396.42 g/mol
Exact Mass396.16
IUPAC Name3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]pyrido[1,2-a][1,3,5]triazine-2,4-dione
SMILESO=C(c1ccc(F)cc1)C1CCN(CCn2c(=O)nc3ccccn3c2=O)CC1
InChIInChI=1S/C21H21FN4O3/c22-17-6-4-15(5-7-17)19(27)16-8-11-24(12-9-16)13-14-26-20(28)23-18-3-1-2-10-25(18)21(26)29/h1-7,10,16H,8-9,11-14H2
InChIKeyWFPJISWZJFETGC-UHFFFAOYSA-N
XLogP1.59
TPSA76.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.42
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]pyrido[1,2-a][1,3,5]triazine-2,4-dione?
The IUPAC name of 3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]pyrido[1,2-a][1,3,5]triazine-2,4-dione (CID 15105373) is 3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]pyrido[1,2-a][1,3,5]triazine-2,4-dione.
What is the SMILES notation for 3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]pyrido[1,2-a][1,3,5]triazine-2,4-dione?
The canonical SMILES for 3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]pyrido[1,2-a][1,3,5]triazine-2,4-dione is O=C(c1ccc(F)cc1)C1CCN(CCn2c(=O)nc3ccccn3c2=O)CC1.
What is the InChIKey of 3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]pyrido[1,2-a][1,3,5]triazine-2,4-dione?
The InChIKey is WFPJISWZJFETGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O3/c22-17-6-4-15(5-7-17)19(27)16-8-11-24(12-9-16)13-14-26-20(28)23-18-3-1-2-10-25(18)21(26)29/h1-7,10,16H,8-9,11-14H2.
What are the key properties of 3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]pyrido[1,2-a][1,3,5]triazine-2,4-dione?
3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]pyrido[1,2-a][1,3,5]triazine-2,4-dione has a molecular weight of 396.42 g/mol, XLogP of 1.59, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]pyrido[1,2-a][1,3,5]triazine-2,4-dione is sourced from PubChem (CID 15105373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).