6-(furan-2-yl)-3-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]pyrimidin-4-one

C24H27N3O4 — CID 134218865

IUPAC6-(furan-2-yl)-3-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]pyrimidin-4-one
SMILESC[C@H](CC(=O)N1CCC(O)(Cn2cnc(-c3ccco3)cc2=O)CC1)c1ccccc1
InChIInChI=1S/C24H27N3O4/c1-18(19-6-3-2-4-7-19)14-22(28)26-11-9-24(30,10-12-26)16-27-17-25-20(15-23(27)29)21-8-5-13-31-21/h2-8,13,15,17-18,30H,9-12,14,16H2,1H3/t18-/m1/s1
InChIKeyXDACLIPDYCPEEQ-GOSISDBHSA-N
MW421.50 g/mol
LogP3.05
Rot. Bonds6

About 6-(furan-2-yl)-3-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]pyrimidin-4-one

6-(furan-2-yl)-3-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]pyrimidin-4-one (PubChem CID 134218865) has the molecular formula C24H27N3O4 and a molecular weight of 421.50 g/mol. Its IUPAC name is 6-(furan-2-yl)-3-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-(furan-2-yl)-3-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]pyrimidin-4-one
PubChem CID134218865
Molecular FormulaC24H27N3O4
Molecular Weight421.50 g/mol
Exact Mass421.20
IUPAC Name6-(furan-2-yl)-3-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]pyrimidin-4-one
SMILESC[C@H](CC(=O)N1CCC(O)(Cn2cnc(-c3ccco3)cc2=O)CC1)c1ccccc1
InChIInChI=1S/C24H27N3O4/c1-18(19-6-3-2-4-7-19)14-22(28)26-11-9-24(30,10-12-26)16-27-17-25-20(15-23(27)29)21-8-5-13-31-21/h2-8,13,15,17-18,30H,9-12,14,16H2,1H3/t18-/m1/s1
InChIKeyXDACLIPDYCPEEQ-GOSISDBHSA-N
XLogP3.05
TPSA88.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(furan-2-yl)-3-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]pyrimidin-4-one with MolForge

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Related Compounds

Cambridge id 7163302
CID 751759
1-(Furan-2-ylmethyl)-4-hydroxy-6-methyl-3-[phenyl(piperidin-1-yl)methyl]pyridin-2-one
CID 54703776
1-[(Furan-2-YL)methyl]-4-hydroxy-6-methyl-3-[(4-methylpiperazin-1-YL)(phenyl)methyl]-1,2-dihydropyridin-2-one
CID 54703778
3-[(4-Ethylpiperazin-1-yl)-phenylmethyl]-1-(furan-2-ylmethyl)-4-hydroxy-6-methylpyridin-2-one
CID 54703779
US11807646, Example 219
CID 139375580
US11807646, Example 232
CID 155682818
1-[(Furan-2-YL)methyl]-4-hydroxy-6-methyl-3-[(4-methylpiperidin-1-YL)(phenyl)methyl]-1,2-dihydropyridin-2-one
CID 54675967
Ethyl 1-((1-(furan-2-ylmethyl)-4-hydroxy-6-methyl-2-oxo-1,2-dihydropyridin-3-yl)(phenyl)methyl)piperidine-4-carboxylate
CID 54703777
3-((3-fluorophenyl)(4-methylpiperidin-1-yl)methyl)-1-(furan-2-ylmethyl)-4-hydroxy-6-methylpyridin-2(1H)-one
CID 54703795
1-[(furan-2-yl)methyl]-4-hydroxy-6-methyl-3-[(4-methylphenyl)(4-methylpiperidin-1-yl)methyl]pyridin-2(1H)-one
CID 54703800
3-[[4-Hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl]furo[3,2-d]pyrimidin-4-one
CID 134451350
US11053213, Example 8
CID 134218844

Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-yl)-3-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]pyrimidin-4-one?
The IUPAC name of 6-(furan-2-yl)-3-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]pyrimidin-4-one (CID 134218865) is 6-(furan-2-yl)-3-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]pyrimidin-4-one.
What is the SMILES notation for 6-(furan-2-yl)-3-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]pyrimidin-4-one?
The canonical SMILES for 6-(furan-2-yl)-3-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]pyrimidin-4-one is C[C@H](CC(=O)N1CCC(O)(Cn2cnc(-c3ccco3)cc2=O)CC1)c1ccccc1.
What is the InChIKey of 6-(furan-2-yl)-3-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]pyrimidin-4-one?
The InChIKey is XDACLIPDYCPEEQ-GOSISDBHSA-N. The full InChI is InChI=1S/C24H27N3O4/c1-18(19-6-3-2-4-7-19)14-22(28)26-11-9-24(30,10-12-26)16-27-17-25-20(15-23(27)29)21-8-5-13-31-21/h2-8,13,15,17-18,30H,9-12,14,16H2,1H3/t18-/m1/s1.
What are the key properties of 6-(furan-2-yl)-3-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]pyrimidin-4-one?
6-(furan-2-yl)-3-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]pyrimidin-4-one has a molecular weight of 421.50 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-yl)-3-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]pyrimidin-4-one is sourced from PubChem (CID 134218865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).