6-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-phenyltriazolo[4,5-d]pyrimidin-7-one

C24H24N6O2 — CID 5310015

IUPAC6-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-phenyltriazolo[4,5-d]pyrimidin-7-one
SMILESO=C(Cn1cnc2c(nnn2-c2ccccc2)c1=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C24H24N6O2/c31-21(28-13-11-19(12-14-28)15-18-7-3-1-4-8-18)16-29-17-25-23-22(24(29)32)26-27-30(23)20-9-5-2-6-10-20/h1-10,17,19H,11-16H2
InChIKeyFALJHYMLTKUNGE-UHFFFAOYSA-N
MW428.50 g/mol
LogP2.46
Rot. Bonds5

About 6-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-phenyltriazolo[4,5-d]pyrimidin-7-one

6-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-phenyltriazolo[4,5-d]pyrimidin-7-one (PubChem CID 5310015) has the molecular formula C24H24N6O2 and a molecular weight of 428.50 g/mol. Its IUPAC name is 6-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-phenyltriazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-phenyltriazolo[4,5-d]pyrimidin-7-one
PubChem CID5310015
Molecular FormulaC24H24N6O2
Molecular Weight428.50 g/mol
Exact Mass428.20
IUPAC Name6-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-phenyltriazolo[4,5-d]pyrimidin-7-one
SMILESO=C(Cn1cnc2c(nnn2-c2ccccc2)c1=O)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C24H24N6O2/c31-21(28-13-11-19(12-14-28)15-18-7-3-1-4-8-18)16-29-17-25-23-22(24(29)32)26-27-30(23)20-9-5-2-6-10-20/h1-10,17,19H,11-16H2
InChIKeyFALJHYMLTKUNGE-UHFFFAOYSA-N
XLogP2.46
TPSA85.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-benzyl-6-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]triazolo[4,5-d]pyrimidin-7-one
CID 7111068
N,N-dicyclohexyl-2-(7-oxo-3-phenyltriazolo[4,5-d]pyrimidin-6-yl)acetamide
CID 47092806
benzyl 2-[3-(4-bromophenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]acetate
CID 40865079
3-(4-bromophenyl)-6-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]triazolo[4,5-d]pyrimidin-7-one
CID 41105864
3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1,2,3-benzotriazin-4-one
CID 2714517
3-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]quinazolin-4-one
CID 4900240
ethyl 3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate
CID 35986456
6-(3-methylbut-2-enyl)-3-phenyltriazolo[4,5-d]pyrimidin-7-one
CID 154780771
1-(2-oxo-2-piperidin-1-ylethyl)-9-phenylpurin-6-one
CID 122149405
1-(4-benzylpiperidin-1-yl)-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone
CID 7465704
[2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate
CID 2422296
6-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-1-(4-fluorophenyl)-4-methylpyrazolo[4,5-d]pyridazin-7-one
CID 16846383

Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-phenyltriazolo[4,5-d]pyrimidin-7-one?
The IUPAC name of 6-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-phenyltriazolo[4,5-d]pyrimidin-7-one (CID 5310015) is 6-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-phenyltriazolo[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 6-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-phenyltriazolo[4,5-d]pyrimidin-7-one?
The canonical SMILES for 6-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-phenyltriazolo[4,5-d]pyrimidin-7-one is O=C(Cn1cnc2c(nnn2-c2ccccc2)c1=O)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 6-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-phenyltriazolo[4,5-d]pyrimidin-7-one?
The InChIKey is FALJHYMLTKUNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O2/c31-21(28-13-11-19(12-14-28)15-18-7-3-1-4-8-18)16-29-17-25-23-22(24(29)32)26-27-30(23)20-9-5-2-6-10-20/h1-10,17,19H,11-16H2.
What are the key properties of 6-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-phenyltriazolo[4,5-d]pyrimidin-7-one?
6-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-phenyltriazolo[4,5-d]pyrimidin-7-one has a molecular weight of 428.50 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-phenyltriazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 5310015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).