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

C23H24N4O2 — CID 136820909

IUPAC2-[(3R)-1-(3-phenylpropanoyl)piperidin-3-yl]-4-pyridin-4-yl-1H-pyrimidin-6-one
SMILESO=C(CCc1ccccc1)N1CCC[C@@H](c2nc(-c3ccncc3)cc(=O)[nH]2)C1
InChIInChI=1S/C23H24N4O2/c28-21-15-20(18-10-12-24-13-11-18)25-23(26-21)19-7-4-14-27(16-19)22(29)9-8-17-5-2-1-3-6-17/h1-3,5-6,10-13,15,19H,4,7-9,14,16H2,(H,25,26,28)/t19-/m1/s1
InChIKeyKNJRLJROCRZKQT-LJQANCHMSA-N
MW388.47 g/mol
LogP3.17
Rot. Bonds5

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

2-[(3R)-1-(3-phenylpropanoyl)piperidin-3-yl]-4-pyridin-4-yl-1H-pyrimidin-6-one (PubChem CID 136820909) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 2-[(3R)-1-(3-phenylpropanoyl)piperidin-3-yl]-4-pyridin-4-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(3R)-1-(3-phenylpropanoyl)piperidin-3-yl]-4-pyridin-4-yl-1H-pyrimidin-6-one
PubChem CID136820909
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name2-[(3R)-1-(3-phenylpropanoyl)piperidin-3-yl]-4-pyridin-4-yl-1H-pyrimidin-6-one
SMILESO=C(CCc1ccccc1)N1CCC[C@@H](c2nc(-c3ccncc3)cc(=O)[nH]2)C1
InChIInChI=1S/C23H24N4O2/c28-21-15-20(18-10-12-24-13-11-18)25-23(26-21)19-7-4-14-27(16-19)22(29)9-8-17-5-2-1-3-6-17/h1-3,5-6,10-13,15,19H,4,7-9,14,16H2,(H,25,26,28)/t19-/m1/s1
InChIKeyKNJRLJROCRZKQT-LJQANCHMSA-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-[3-(2-fluorophenyl)propanoyl]piperidin-3-yl]-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 136881215
4-[(3R)-1-(3-phenylpropanoyl)pyrrolidin-3-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 136682114
2-[1-(4-pyridin-4-ylbutanoyl)piperidin-3-yl]-4-thiophen-2-yl-1H-pyrimidin-6-one
CID 136881534
2-[1-(3-methoxypropanoyl)pyrrolidin-3-yl]-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 136881616
2-[1-[2-(2,5-difluorophenyl)acetyl]piperidin-3-yl]-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 136881217
2-[1-(3-phenylpropanoyl)piperidin-4-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one
CID 136881093
4-phenyl-2-[1-(3-phenylpropanoyl)piperidin-3-yl]-1H-imidazole-5-carboxamide
CID 110259820
2-[(3R)-1-[(3S)-oxolane-3-carbonyl]piperidin-3-yl]-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 136820939
2-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 136881151
2-[1-[2-(3-methylphenyl)acetyl]piperidin-3-yl]-4-thiophen-3-yl-1H-pyrimidin-6-one
CID 136816477
2-phenyl-1-[3-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone
CID 53192244
2-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 136850333

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1-(3-phenylpropanoyl)piperidin-3-yl]-4-pyridin-4-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(3R)-1-(3-phenylpropanoyl)piperidin-3-yl]-4-pyridin-4-yl-1H-pyrimidin-6-one (CID 136820909) is 2-[(3R)-1-(3-phenylpropanoyl)piperidin-3-yl]-4-pyridin-4-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(3R)-1-(3-phenylpropanoyl)piperidin-3-yl]-4-pyridin-4-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(3R)-1-(3-phenylpropanoyl)piperidin-3-yl]-4-pyridin-4-yl-1H-pyrimidin-6-one is O=C(CCc1ccccc1)N1CCC[C@@H](c2nc(-c3ccncc3)cc(=O)[nH]2)C1.
What is the InChIKey of 2-[(3R)-1-(3-phenylpropanoyl)piperidin-3-yl]-4-pyridin-4-yl-1H-pyrimidin-6-one?
The InChIKey is KNJRLJROCRZKQT-LJQANCHMSA-N. The full InChI is InChI=1S/C23H24N4O2/c28-21-15-20(18-10-12-24-13-11-18)25-23(26-21)19-7-4-14-27(16-19)22(29)9-8-17-5-2-1-3-6-17/h1-3,5-6,10-13,15,19H,4,7-9,14,16H2,(H,25,26,28)/t19-/m1/s1.
What are the key properties of 2-[(3R)-1-(3-phenylpropanoyl)piperidin-3-yl]-4-pyridin-4-yl-1H-pyrimidin-6-one?
2-[(3R)-1-(3-phenylpropanoyl)piperidin-3-yl]-4-pyridin-4-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-[(3R)-1-(3-phenylpropanoyl)piperidin-3-yl]-4-pyridin-4-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136820909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).