3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-6-pyrimidin-5-ylpyrimidin-4-one

C23H25N5O3 — CID 134451237

IUPAC3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-6-pyrimidin-5-ylpyrimidin-4-one
SMILESO=C(CCc1ccccc1)N1CCC(O)(Cn2cnc(-c3cncnc3)cc2=O)CC1
InChIInChI=1S/C23H25N5O3/c29-21(7-6-18-4-2-1-3-5-18)27-10-8-23(31,9-11-27)15-28-17-26-20(12-22(28)30)19-13-24-16-25-14-19/h1-5,12-14,16-17,31H,6-11,15H2
InChIKeyXLDWTARHXYXRTI-UHFFFAOYSA-N
MW419.49 g/mol
LogP1.69
Rot. Bonds6

About 3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-6-pyrimidin-5-ylpyrimidin-4-one

3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-6-pyrimidin-5-ylpyrimidin-4-one (PubChem CID 134451237) has the molecular formula C23H25N5O3 and a molecular weight of 419.49 g/mol. Its IUPAC name is 3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-6-pyrimidin-5-ylpyrimidin-4-one.

Molecular Properties

Compound Name3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-6-pyrimidin-5-ylpyrimidin-4-one
PubChem CID134451237
Molecular FormulaC23H25N5O3
Molecular Weight419.49 g/mol
Exact Mass419.20
IUPAC Name3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-6-pyrimidin-5-ylpyrimidin-4-one
SMILESO=C(CCc1ccccc1)N1CCC(O)(Cn2cnc(-c3cncnc3)cc2=O)CC1
InChIInChI=1S/C23H25N5O3/c29-21(7-6-18-4-2-1-3-5-18)27-10-8-23(31,9-11-27)15-28-17-26-20(12-22(28)30)19-13-24-16-25-14-19/h1-5,12-14,16-17,31H,6-11,15H2
InChIKeyXLDWTARHXYXRTI-UHFFFAOYSA-N
XLogP1.69
TPSA101.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one
CID 134451443
3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 134451393
6-(2-acetyl-2,6-diazaspiro[3.3]heptan-6-yl)-3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 167160618
3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-6-(2-methoxyethylamino)pyrimidin-4-one
CID 134451488
1-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-5-methyl-4-phenylpyridin-2-one
CID 146879743
3-[[4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl]methyl]-6-pyridin-4-ylpyrimidin-4-one
CID 139414925
1-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-9-methyl-8-phenylpurin-6-one
CID 134451212
5-amino-3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-6-[N-methyl-C-(trifluoromethyl)carbonimidoyl]pyrimidin-4-one
CID 134451140
6-chloro-3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-7-phenylpyrrolo[2,3-d]pyrimidin-4-one
CID 168993090
1-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-4-phenyl-5-(piperidine-1-carbonyl)pyridin-2-one
CID 134218559
1-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-4-phenyl-5-(piperazine-1-carbonyl)pyridin-2-one
CID 134218656
1-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-5-(2-methylpyrazol-3-yl)-4-phenylpyridin-2-one
CID 146660163

Frequently Asked Questions

What is the IUPAC name of 3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-6-pyrimidin-5-ylpyrimidin-4-one?
The IUPAC name of 3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-6-pyrimidin-5-ylpyrimidin-4-one (CID 134451237) is 3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-6-pyrimidin-5-ylpyrimidin-4-one.
What is the SMILES notation for 3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-6-pyrimidin-5-ylpyrimidin-4-one?
The canonical SMILES for 3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-6-pyrimidin-5-ylpyrimidin-4-one is O=C(CCc1ccccc1)N1CCC(O)(Cn2cnc(-c3cncnc3)cc2=O)CC1.
What is the InChIKey of 3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-6-pyrimidin-5-ylpyrimidin-4-one?
The InChIKey is XLDWTARHXYXRTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O3/c29-21(7-6-18-4-2-1-3-5-18)27-10-8-23(31,9-11-27)15-28-17-26-20(12-22(28)30)19-13-24-16-25-14-19/h1-5,12-14,16-17,31H,6-11,15H2.
What are the key properties of 3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-6-pyrimidin-5-ylpyrimidin-4-one?
3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-6-pyrimidin-5-ylpyrimidin-4-one has a molecular weight of 419.49 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]-6-pyrimidin-5-ylpyrimidin-4-one is sourced from PubChem (CID 134451237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).