1-(2-oxo-2-piperidin-1-ylethyl)-9-phenylpurin-6-one

C18H19N5O2 — CID 122149405

IUPAC1-(2-oxo-2-piperidin-1-ylethyl)-9-phenylpurin-6-one
SMILESO=C(Cn1cnc2c(ncn2-c2ccccc2)c1=O)N1CCCCC1
InChIInChI=1S/C18H19N5O2/c24-15(21-9-5-2-6-10-21)11-22-12-20-17-16(18(22)25)19-13-23(17)14-7-3-1-4-8-14/h1,3-4,7-8,12-13H,2,5-6,9-11H2
InChIKeyKGGIANSUASLYPW-UHFFFAOYSA-N
MW337.38 g/mol
LogP1.59
Rot. Bonds3

About 1-(2-oxo-2-piperidin-1-ylethyl)-9-phenylpurin-6-one

1-(2-oxo-2-piperidin-1-ylethyl)-9-phenylpurin-6-one (PubChem CID 122149405) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 1-(2-oxo-2-piperidin-1-ylethyl)-9-phenylpurin-6-one.

Molecular Properties

Compound Name1-(2-oxo-2-piperidin-1-ylethyl)-9-phenylpurin-6-one
PubChem CID122149405
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name1-(2-oxo-2-piperidin-1-ylethyl)-9-phenylpurin-6-one
SMILESO=C(Cn1cnc2c(ncn2-c2ccccc2)c1=O)N1CCCCC1
InChIInChI=1S/C18H19N5O2/c24-15(21-9-5-2-6-10-21)11-22-12-20-17-16(18(22)25)19-13-23(17)14-7-3-1-4-8-14/h1,3-4,7-8,12-13H,2,5-6,9-11H2
InChIKeyKGGIANSUASLYPW-UHFFFAOYSA-N
XLogP1.59
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5,6-dimethyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-7-phenylpyrrolo[2,3-d]pyrimidin-4-one
CID 20932007
3-(2-oxo-2-pyrrolidin-1-ylethyl)quinazolin-4-one
CID 4908291
3-[2-(azepan-1-yl)-2-oxoethyl]pyrido[2,3-d]pyrimidin-4-one
CID 18165495
5-[2-(azepan-1-yl)-2-oxoethyl]-1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 7243697
5-[2-(azepan-1-yl)-2-oxoethyl]-1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 1433777
6-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-phenyltriazolo[4,5-d]pyrimidin-7-one
CID 5310015
5-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 7087494
1-(4-chlorophenyl)-5-(2-oxo-2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 7118509
1-(4-fluorophenyl)-5-(2-oxo-2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidin-4-one
CID 1088450
3-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-7,8,9,10-tetrahydro-6H-purino[9,8-a]azepin-4-one
CID 46276340
5-bromo-6-methyl-3-(2-oxo-2-piperidin-1-ylethyl)pyrimidin-4-one
CID 66309620
3-(2,4-difluorophenyl)-6-(2-oxo-2-piperidin-1-ylethyl)triazolo[4,5-d]pyrimidin-7-one
CID 7476285

Frequently Asked Questions

What is the IUPAC name of 1-(2-oxo-2-piperidin-1-ylethyl)-9-phenylpurin-6-one?
The IUPAC name of 1-(2-oxo-2-piperidin-1-ylethyl)-9-phenylpurin-6-one (CID 122149405) is 1-(2-oxo-2-piperidin-1-ylethyl)-9-phenylpurin-6-one.
What is the SMILES notation for 1-(2-oxo-2-piperidin-1-ylethyl)-9-phenylpurin-6-one?
The canonical SMILES for 1-(2-oxo-2-piperidin-1-ylethyl)-9-phenylpurin-6-one is O=C(Cn1cnc2c(ncn2-c2ccccc2)c1=O)N1CCCCC1.
What is the InChIKey of 1-(2-oxo-2-piperidin-1-ylethyl)-9-phenylpurin-6-one?
The InChIKey is KGGIANSUASLYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c24-15(21-9-5-2-6-10-21)11-22-12-20-17-16(18(22)25)19-13-23(17)14-7-3-1-4-8-14/h1,3-4,7-8,12-13H,2,5-6,9-11H2.
What are the key properties of 1-(2-oxo-2-piperidin-1-ylethyl)-9-phenylpurin-6-one?
1-(2-oxo-2-piperidin-1-ylethyl)-9-phenylpurin-6-one has a molecular weight of 337.38 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-oxo-2-piperidin-1-ylethyl)-9-phenylpurin-6-one is sourced from PubChem (CID 122149405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).