3-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]pyrido[2,1-c][1,2,4]triazin-4-one

C22H24N4O2 — CID 75490177

IUPAC3-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]pyrido[2,1-c][1,2,4]triazin-4-one
SMILESO=C(CCc1nnc2ccccn2c1=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C22H24N4O2/c27-21(10-9-19-22(28)26-13-5-4-8-20(26)24-23-19)25-14-11-18(12-15-25)16-17-6-2-1-3-7-17/h1-8,13,18H,9-12,14-16H2
InChIKeyRMDMHMHZNAZCNP-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.50
Rot. Bonds5

About 3-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]pyrido[2,1-c][1,2,4]triazin-4-one

3-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]pyrido[2,1-c][1,2,4]triazin-4-one (PubChem CID 75490177) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 3-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]pyrido[2,1-c][1,2,4]triazin-4-one.

Molecular Properties

Compound Name3-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]pyrido[2,1-c][1,2,4]triazin-4-one
PubChem CID75490177
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name3-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]pyrido[2,1-c][1,2,4]triazin-4-one
SMILESO=C(CCc1nnc2ccccn2c1=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C22H24N4O2/c27-21(10-9-19-22(28)26-13-5-4-8-20(26)24-23-19)25-14-11-18(12-15-25)16-17-6-2-1-3-7-17/h1-8,13,18H,9-12,14-16H2
InChIKeyRMDMHMHZNAZCNP-UHFFFAOYSA-N
XLogP2.50
TPSA67.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]pyrido[2,1-c][1,2,4]triazin-4-one with MolForge

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Related Compounds

3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pyrido[2,1-c][1,2,4]triazin-4-one
CID 75490376
3-phenyl-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]propan-1-one
CID 83278566
5-(4-benzylpiperidin-1-yl)-5-oxopentanoic acid
CID 4305990
1-[4-(2-phenylethyl)piperidin-1-yl]-2-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone
CID 78842000
6-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-3-[[3-(trifluoromethyl)phenyl]methyl]-4H-1,2,4-triazin-5-one
CID 135872403
4-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]benzenecarboximidamide
CID 158136961
1-(4-benzylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)propane-1,3-dione
CID 108942755
6-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]-3-[3-(2-ethoxyethoxy)phenyl]-4H-1,2,4-triazin-5-one
CID 135871942
1-(4-benzylpiperidin-1-yl)-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108942003
1-(4-benzylpiperidin-1-yl)-2-cyclopentylethanone
CID 127122886
3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1,2,3-benzotriazin-4-one
CID 2714517
5-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]pyridine-2-carboximidamide
CID 159073575

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]pyrido[2,1-c][1,2,4]triazin-4-one?
The IUPAC name of 3-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]pyrido[2,1-c][1,2,4]triazin-4-one (CID 75490177) is 3-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]pyrido[2,1-c][1,2,4]triazin-4-one.
What is the SMILES notation for 3-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]pyrido[2,1-c][1,2,4]triazin-4-one?
The canonical SMILES for 3-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]pyrido[2,1-c][1,2,4]triazin-4-one is O=C(CCc1nnc2ccccn2c1=O)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 3-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]pyrido[2,1-c][1,2,4]triazin-4-one?
The InChIKey is RMDMHMHZNAZCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c27-21(10-9-19-22(28)26-13-5-4-8-20(26)24-23-19)25-14-11-18(12-15-25)16-17-6-2-1-3-7-17/h1-8,13,18H,9-12,14-16H2.
What are the key properties of 3-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]pyrido[2,1-c][1,2,4]triazin-4-one?
3-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]pyrido[2,1-c][1,2,4]triazin-4-one has a molecular weight of 376.46 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]pyrido[2,1-c][1,2,4]triazin-4-one is sourced from PubChem (CID 75490177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).