3-[[1-(3-cyclohexyl-2-fluoropropanoyl)-4-hydroxypiperidin-4-yl]methyl]-6-(2-fluorophenyl)pyrimidin-4-one

C25H31F2N3O3 — CID 134218773

IUPAC3-[[1-(3-cyclohexyl-2-fluoropropanoyl)-4-hydroxypiperidin-4-yl]methyl]-6-(2-fluorophenyl)pyrimidin-4-one
SMILESO=C(C(F)CC1CCCCC1)N1CCC(O)(Cn2cnc(-c3ccccc3F)cc2=O)CC1
InChIInChI=1S/C25H31F2N3O3/c26-20-9-5-4-8-19(20)22-15-23(31)30(17-28-22)16-25(33)10-12-29(13-11-25)24(32)21(27)14-18-6-2-1-3-7-18/h4-5,8-9,15,17-18,21,33H,1-3,6-7,10-14,16H2
InChIKeyDLXACPFIGLVPIU-UHFFFAOYSA-N
MW459.54 g/mol
LogP3.71
Rot. Bonds6

About 3-[[1-(3-cyclohexyl-2-fluoropropanoyl)-4-hydroxypiperidin-4-yl]methyl]-6-(2-fluorophenyl)pyrimidin-4-one

3-[[1-(3-cyclohexyl-2-fluoropropanoyl)-4-hydroxypiperidin-4-yl]methyl]-6-(2-fluorophenyl)pyrimidin-4-one (PubChem CID 134218773) has the molecular formula C25H31F2N3O3 and a molecular weight of 459.54 g/mol. Its IUPAC name is 3-[[1-(3-cyclohexyl-2-fluoropropanoyl)-4-hydroxypiperidin-4-yl]methyl]-6-(2-fluorophenyl)pyrimidin-4-one.

Molecular Properties

Compound Name3-[[1-(3-cyclohexyl-2-fluoropropanoyl)-4-hydroxypiperidin-4-yl]methyl]-6-(2-fluorophenyl)pyrimidin-4-one
PubChem CID134218773
Molecular FormulaC25H31F2N3O3
Molecular Weight459.54 g/mol
Exact Mass459.23
IUPAC Name3-[[1-(3-cyclohexyl-2-fluoropropanoyl)-4-hydroxypiperidin-4-yl]methyl]-6-(2-fluorophenyl)pyrimidin-4-one
SMILESO=C(C(F)CC1CCCCC1)N1CCC(O)(Cn2cnc(-c3ccccc3F)cc2=O)CC1
InChIInChI=1S/C25H31F2N3O3/c26-20-9-5-4-8-19(20)22-15-23(31)30(17-28-22)16-25(33)10-12-29(13-11-25)24(32)21(27)14-18-6-2-1-3-7-18/h4-5,8-9,15,17-18,21,33H,1-3,6-7,10-14,16H2
InChIKeyDLXACPFIGLVPIU-UHFFFAOYSA-N
XLogP3.71
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.54
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[[1-(3-cyclohexyl-2-fluoropropanoyl)-4-hydroxypiperidin-4-yl]methyl]-6-(2-fluorophenyl)pyrimidin-4-one with MolForge

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Related Compounds

3-[[1-[2-(cyclohexylmethyl)pent-4-enoyl]-4-hydroxypiperidin-4-yl]methyl]-6-(2-fluorophenyl)pyrimidin-4-one
CID 139346978
N-benzyl-4-[[4-(2-fluorophenyl)-6-oxopyrimidin-1-yl]methyl]-4-hydroxy-N-methylpiperidine-1-carboxamide
CID 139375551
3-[[1-[(2R)-3-cyclohexyl-2-methylpropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-6-phenylpyrimidin-4-one
CID 134218547
3-[[(4S)-1-[(2R)-3-cyclohexyl-2-methylpropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-6-phenylpyrimidin-4-one
CID 134209726
[1-[[1-[(2R)-3-cyclohexyl-2-methylpropanoyl]-4-hydroxypiperidin-4-yl]methyl]-4-(2-fluorophenyl)-6-oxo-3-pyridinyl] N-benzyl-N-tert-butylcarbamate
CID 175292027
6-(2-fluorophenyl)-3-[[(1S,5R)-8-hydroxy-3-[(2R)-2-methyl-3-phenylpropanoyl]-3-azabicyclo[3.2.1]octan-8-yl]methyl]pyrimidin-4-one
CID 166632793
3-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]-6-(2-methoxyphenyl)pyrimidin-4-one
CID 134218638
1-[[(4S)-1-(3-cyclohexyl-2-methylpropanoyl)-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-4-(2-fluorophenyl)-6-oxopyridine-3-carboxylic acid
CID 134211869
6-chloro-3-[[1-(4,4-difluoro-3-phenylbutanoyl)-4-hydroxypiperidin-4-yl]methyl]pyrimidin-4-one
CID 139415051
1-[[1-(3-cyclohexylpropanoyl)-4-hydroxypiperidin-4-yl]methyl]-5-methyl-4-phenylpyridin-2-one
CID 166989164
3-[[1-(3-cyclohexyl-2-methylpropanoyl)-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-6-(1H-pyrazol-5-yl)pyrimidin-4-one
CID 139346927
1-[[(10R)-7-(3-cyclobutyl-2-methylpropanoyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-(2-fluorophenyl)-N,N-dimethyl-6-oxopyridine-3-carboxamide
CID 139347063

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(3-cyclohexyl-2-fluoropropanoyl)-4-hydroxypiperidin-4-yl]methyl]-6-(2-fluorophenyl)pyrimidin-4-one?
The IUPAC name of 3-[[1-(3-cyclohexyl-2-fluoropropanoyl)-4-hydroxypiperidin-4-yl]methyl]-6-(2-fluorophenyl)pyrimidin-4-one (CID 134218773) is 3-[[1-(3-cyclohexyl-2-fluoropropanoyl)-4-hydroxypiperidin-4-yl]methyl]-6-(2-fluorophenyl)pyrimidin-4-one.
What is the SMILES notation for 3-[[1-(3-cyclohexyl-2-fluoropropanoyl)-4-hydroxypiperidin-4-yl]methyl]-6-(2-fluorophenyl)pyrimidin-4-one?
The canonical SMILES for 3-[[1-(3-cyclohexyl-2-fluoropropanoyl)-4-hydroxypiperidin-4-yl]methyl]-6-(2-fluorophenyl)pyrimidin-4-one is O=C(C(F)CC1CCCCC1)N1CCC(O)(Cn2cnc(-c3ccccc3F)cc2=O)CC1.
What is the InChIKey of 3-[[1-(3-cyclohexyl-2-fluoropropanoyl)-4-hydroxypiperidin-4-yl]methyl]-6-(2-fluorophenyl)pyrimidin-4-one?
The InChIKey is DLXACPFIGLVPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31F2N3O3/c26-20-9-5-4-8-19(20)22-15-23(31)30(17-28-22)16-25(33)10-12-29(13-11-25)24(32)21(27)14-18-6-2-1-3-7-18/h4-5,8-9,15,17-18,21,33H,1-3,6-7,10-14,16H2.
What are the key properties of 3-[[1-(3-cyclohexyl-2-fluoropropanoyl)-4-hydroxypiperidin-4-yl]methyl]-6-(2-fluorophenyl)pyrimidin-4-one?
3-[[1-(3-cyclohexyl-2-fluoropropanoyl)-4-hydroxypiperidin-4-yl]methyl]-6-(2-fluorophenyl)pyrimidin-4-one has a molecular weight of 459.54 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(3-cyclohexyl-2-fluoropropanoyl)-4-hydroxypiperidin-4-yl]methyl]-6-(2-fluorophenyl)pyrimidin-4-one is sourced from PubChem (CID 134218773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).