5-phenyl-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1H-pyridin-2-one

C23H26N4O2 — CID 67369617

IUPAC5-phenyl-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1H-pyridin-2-one
SMILESCCCc1cnc(N2CCC(Oc3cc(=O)[nH]cc3-c3ccccc3)CC2)nc1
InChIInChI=1S/C23H26N4O2/c1-2-6-17-14-25-23(26-15-17)27-11-9-19(10-12-27)29-21-13-22(28)24-16-20(21)18-7-4-3-5-8-18/h3-5,7-8,13-16,19H,2,6,9-12H2,1H3,(H,24,28)
InChIKeyQLBLBRXYMFDSLC-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.83
Rot. Bonds6

About 5-phenyl-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1H-pyridin-2-one

5-phenyl-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1H-pyridin-2-one (PubChem CID 67369617) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 5-phenyl-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1H-pyridin-2-one.

Molecular Properties

Compound Name5-phenyl-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1H-pyridin-2-one
PubChem CID67369617
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name5-phenyl-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1H-pyridin-2-one
SMILESCCCc1cnc(N2CCC(Oc3cc(=O)[nH]cc3-c3ccccc3)CC2)nc1
InChIInChI=1S/C23H26N4O2/c1-2-6-17-14-25-23(26-15-17)27-11-9-19(10-12-27)29-21-13-22(28)24-16-20(21)18-7-4-3-5-8-18/h3-5,7-8,13-16,19H,2,6,9-12H2,1H3,(H,24,28)
InChIKeyQLBLBRXYMFDSLC-UHFFFAOYSA-N
XLogP3.83
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-difluoro-4-[2-oxo-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1H-pyridin-3-yl]benzonitrile
CID 68725826
1-(3-methyl-4-methylsulfonylphenyl)-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxypyridin-2-one
CID 57468407
1-(4-methylsulfanylphenyl)-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxypyridin-2-one
CID 57468392
5-propyl-2-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]pyrimidine
CID 2811492
2-[4-[[2-(3,4-dichlorophenyl)-1H-pyridazin-5-yl]oxy]piperidin-1-yl]-5-propylpyrimidine
CID 154460847
6-[1-(benzenesulfonyl)-3,6-dihydro-2H-pyridin-4-yl]-2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazole
CID 54597119
5-ethyl-2-[4-[3-(4-methylphenyl)phenoxy]piperidin-1-yl]pyrimidine
CID 90810331
1-(5-propylpyrimidin-2-yl)piperidine-4-sulfonic acid
CID 151995167
2-[2-[[4-[2-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1,3-benzothiazol-6-yl]-1,2,3,6-tetrahydropyridin-6-yl]sulfonyl]ethyl]isoindole-1,3-dione
CID 67466444
2-(4-tert-butylpiperidin-1-yl)-5-propylpyrimidine
CID 131998952
1-(3-fluoro-4-isocyanophenyl)-6-oxo-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxypyridazine-3-carbonitrile
CID 58483085
4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1-[4-(3,3,3-trifluoro-2-oxopropyl)phenyl]pyridin-2-one
CID 58458104

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1H-pyridin-2-one?
The IUPAC name of 5-phenyl-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1H-pyridin-2-one (CID 67369617) is 5-phenyl-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1H-pyridin-2-one.
What is the SMILES notation for 5-phenyl-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1H-pyridin-2-one?
The canonical SMILES for 5-phenyl-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1H-pyridin-2-one is CCCc1cnc(N2CCC(Oc3cc(=O)[nH]cc3-c3ccccc3)CC2)nc1.
What is the InChIKey of 5-phenyl-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1H-pyridin-2-one?
The InChIKey is QLBLBRXYMFDSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-2-6-17-14-25-23(26-15-17)27-11-9-19(10-12-27)29-21-13-22(28)24-16-20(21)18-7-4-3-5-8-18/h3-5,7-8,13-16,19H,2,6,9-12H2,1H3,(H,24,28).
What are the key properties of 5-phenyl-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1H-pyridin-2-one?
5-phenyl-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1H-pyridin-2-one has a molecular weight of 390.49 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-4-[1-(5-propylpyrimidin-2-yl)piperidin-4-yl]oxy-1H-pyridin-2-one is sourced from PubChem (CID 67369617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).