2-[1-(3-phenylpropanoyl)piperidin-4-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one

C23H24N4O2 — CID 136881093

IUPAC2-[1-(3-phenylpropanoyl)piperidin-4-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one
SMILESO=C(CCc1ccccc1)N1CCC(c2nc(-c3ccccn3)cc(=O)[nH]2)CC1
InChIInChI=1S/C23H24N4O2/c28-21-16-20(19-8-4-5-13-24-19)25-23(26-21)18-11-14-27(15-12-18)22(29)10-9-17-6-2-1-3-7-17/h1-8,13,16,18H,9-12,14-15H2,(H,25,26,28)
InChIKeyFRVFRHPEULKYJC-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.17
Rot. Bonds5

About 2-[1-(3-phenylpropanoyl)piperidin-4-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one

2-[1-(3-phenylpropanoyl)piperidin-4-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one (PubChem CID 136881093) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 2-[1-(3-phenylpropanoyl)piperidin-4-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[1-(3-phenylpropanoyl)piperidin-4-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one
PubChem CID136881093
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name2-[1-(3-phenylpropanoyl)piperidin-4-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one
SMILESO=C(CCc1ccccc1)N1CCC(c2nc(-c3ccccn3)cc(=O)[nH]2)CC1
InChIInChI=1S/C23H24N4O2/c28-21-16-20(19-8-4-5-13-24-19)25-23(26-21)18-11-14-27(15-12-18)22(29)10-9-17-6-2-1-3-7-17/h1-8,13,16,18H,9-12,14-15H2,(H,25,26,28)
InChIKeyFRVFRHPEULKYJC-UHFFFAOYSA-N
XLogP3.17
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[4-(2-fluorophenoxy)butanoyl]piperidin-4-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one
CID 136820889
2-[(3R)-1-(3-pyrazol-1-ylpropanoyl)pyrrolidin-3-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one
CID 136682319
2-[(3R)-1-(3-phenylpropanoyl)piperidin-3-yl]-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 136820909
2-[(3R)-1-[2-(4-methylsulfonylphenyl)acetyl]pyrrolidin-3-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one
CID 136850811
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one
CID 35348246
1-[4-(1H-imidazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one
CID 110725809
2-[(3S)-1-(2-oxo-1H-pyridine-4-carbonyl)pyrrolidin-3-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one
CID 136682322
2-[1-[2-(4-methylphenoxy)propanoyl]piperidin-4-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one
CID 136881126
4-[(3R)-1-(3-phenylpropanoyl)pyrrolidin-3-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 136682114
4-pyridin-2-yl-2-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-4-yl]-1H-pyrimidin-6-one
CID 136821000
4-pyridin-2-yl-2-[(3R)-1-(3,4,5-trimethoxybenzoyl)pyrrolidin-3-yl]-1H-pyrimidin-6-one
CID 136735357
2-[(3R)-1-(pyridine-3-carbonyl)piperidin-3-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one
CID 136678872

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-phenylpropanoyl)piperidin-4-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-[1-(3-phenylpropanoyl)piperidin-4-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one (CID 136881093) is 2-[1-(3-phenylpropanoyl)piperidin-4-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[1-(3-phenylpropanoyl)piperidin-4-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[1-(3-phenylpropanoyl)piperidin-4-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one is O=C(CCc1ccccc1)N1CCC(c2nc(-c3ccccn3)cc(=O)[nH]2)CC1.
What is the InChIKey of 2-[1-(3-phenylpropanoyl)piperidin-4-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one?
The InChIKey is FRVFRHPEULKYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c28-21-16-20(19-8-4-5-13-24-19)25-23(26-21)18-11-14-27(15-12-18)22(29)10-9-17-6-2-1-3-7-17/h1-8,13,16,18H,9-12,14-15H2,(H,25,26,28).
What are the key properties of 2-[1-(3-phenylpropanoyl)piperidin-4-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one?
2-[1-(3-phenylpropanoyl)piperidin-4-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one has a molecular weight of 388.47 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-phenylpropanoyl)piperidin-4-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136881093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).