2,3-diphenyl-6-piperidin-1-ylpyrimidin-4-one

C21H21N3O — CID 15632926

IUPAC2,3-diphenyl-6-piperidin-1-ylpyrimidin-4-one
SMILESO=c1cc(N2CCCCC2)nc(-c2ccccc2)n1-c1ccccc1
InChIInChI=1S/C21H21N3O/c25-20-16-19(23-14-8-3-9-15-23)22-21(17-10-4-1-5-11-17)24(20)18-12-6-2-7-13-18/h1-2,4-7,10-13,16H,3,8-9,14-15H2
InChIKeyGCMITFBVXSDWHC-UHFFFAOYSA-N
MW331.42 g/mol
LogP3.89
Rot. Bonds3

About 2,3-diphenyl-6-piperidin-1-ylpyrimidin-4-one

2,3-diphenyl-6-piperidin-1-ylpyrimidin-4-one (PubChem CID 15632926) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is 2,3-diphenyl-6-piperidin-1-ylpyrimidin-4-one.

Molecular Properties

Compound Name2,3-diphenyl-6-piperidin-1-ylpyrimidin-4-one
PubChem CID15632926
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC Name2,3-diphenyl-6-piperidin-1-ylpyrimidin-4-one
SMILESO=c1cc(N2CCCCC2)nc(-c2ccccc2)n1-c1ccccc1
InChIInChI=1S/C21H21N3O/c25-20-16-19(23-14-8-3-9-15-23)22-21(17-10-4-1-5-11-17)24(20)18-12-6-2-7-13-18/h1-2,4-7,10-13,16H,3,8-9,14-15H2
InChIKeyGCMITFBVXSDWHC-UHFFFAOYSA-N
XLogP3.89
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-diphenyl-6-(trifluoromethyl)pyrimidin-4-one
CID 59120436
1,3-diphenyl-5,7-di(piperidin-1-yl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 2786023
1-(2-methyl-6-phenylpyrimidin-4-yl)azepane
CID 16876766
(2-phenyl-6-pyrrolidin-1-ylpyrimidin-4-yl)-pyrrolidin-1-ylmethanone
CID 112852618
2,3-dimethyl-6-piperidin-1-ylpyrimidin-4-one
CID 67744616
4-methyl-6-phenyl-2-piperidin-1-ylimidazo[1,5-a]pyrimidine
CID 13114271
4-phenyl-6-(4-phenylpiperazin-1-yl)-2-pyrrolidin-1-ylpyrimidine
CID 112934251
4-methyl-6-(4-phenylpiperazin-1-yl)-2-piperidin-1-ylpyrimidine
CID 112910193
1-[4-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]azepane
CID 112922182
4-phenyl-2-piperidin-1-ylpyrido[2,3-d]pyridazine
CID 14241253
[6-(azepan-1-yl)-2-phenylpyrimidin-4-yl]-morpholin-4-ylmethanone
CID 112853497
2-[4-(azocan-1-yl)but-2-ynyl]-4,5-diphenyl-1,2,4-triazol-3-one
CID 71496723

Frequently Asked Questions

What is the IUPAC name of 2,3-diphenyl-6-piperidin-1-ylpyrimidin-4-one?
The IUPAC name of 2,3-diphenyl-6-piperidin-1-ylpyrimidin-4-one (CID 15632926) is 2,3-diphenyl-6-piperidin-1-ylpyrimidin-4-one.
What is the SMILES notation for 2,3-diphenyl-6-piperidin-1-ylpyrimidin-4-one?
The canonical SMILES for 2,3-diphenyl-6-piperidin-1-ylpyrimidin-4-one is O=c1cc(N2CCCCC2)nc(-c2ccccc2)n1-c1ccccc1.
What is the InChIKey of 2,3-diphenyl-6-piperidin-1-ylpyrimidin-4-one?
The InChIKey is GCMITFBVXSDWHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O/c25-20-16-19(23-14-8-3-9-15-23)22-21(17-10-4-1-5-11-17)24(20)18-12-6-2-7-13-18/h1-2,4-7,10-13,16H,3,8-9,14-15H2.
What are the key properties of 2,3-diphenyl-6-piperidin-1-ylpyrimidin-4-one?
2,3-diphenyl-6-piperidin-1-ylpyrimidin-4-one has a molecular weight of 331.42 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diphenyl-6-piperidin-1-ylpyrimidin-4-one is sourced from PubChem (CID 15632926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).