3-[[1-(3-cyclohexyl-2-methylpropanoyl)-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-6-pyrimidin-5-ylpyrimidin-4-one

C26H37N5O3 — CID 139346906

IUPAC3-[[1-(3-cyclohexyl-2-methylpropanoyl)-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-6-pyrimidin-5-ylpyrimidin-4-one
SMILESCC(CC1CCCCC1)C(=O)N1CCC(O)(Cn2cnc(-c3cncnc3)cc2=O)C(C)(C)C1
InChIInChI=1S/C26H37N5O3/c1-19(11-20-7-5-4-6-8-20)24(33)30-10-9-26(34,25(2,3)15-30)16-31-18-29-22(12-23(31)32)21-13-27-17-28-14-21/h12-14,17-20,34H,4-11,15-16H2,1-3H3
InChIKeyGZFKMOKZJQNTDZ-UHFFFAOYSA-N
MW467.61 g/mol
LogP3.30
Rot. Bonds6

About 3-[[1-(3-cyclohexyl-2-methylpropanoyl)-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-6-pyrimidin-5-ylpyrimidin-4-one

3-[[1-(3-cyclohexyl-2-methylpropanoyl)-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-6-pyrimidin-5-ylpyrimidin-4-one (PubChem CID 139346906) has the molecular formula C26H37N5O3 and a molecular weight of 467.61 g/mol. Its IUPAC name is 3-[[1-(3-cyclohexyl-2-methylpropanoyl)-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-6-pyrimidin-5-ylpyrimidin-4-one.

Molecular Properties

Compound Name3-[[1-(3-cyclohexyl-2-methylpropanoyl)-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-6-pyrimidin-5-ylpyrimidin-4-one
PubChem CID139346906
Molecular FormulaC26H37N5O3
Molecular Weight467.61 g/mol
Exact Mass467.29
IUPAC Name3-[[1-(3-cyclohexyl-2-methylpropanoyl)-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-6-pyrimidin-5-ylpyrimidin-4-one
SMILESCC(CC1CCCCC1)C(=O)N1CCC(O)(Cn2cnc(-c3cncnc3)cc2=O)C(C)(C)C1
InChIInChI=1S/C26H37N5O3/c1-19(11-20-7-5-4-6-8-20)24(33)30-10-9-26(34,25(2,3)15-30)16-31-18-29-22(12-23(31)32)21-13-27-17-28-14-21/h12-14,17-20,34H,4-11,15-16H2,1-3H3
InChIKeyGZFKMOKZJQNTDZ-UHFFFAOYSA-N
XLogP3.30
TPSA101.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.61
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[[1-(3-cyclohexyl-2-methylpropanoyl)-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-6-pyrimidin-5-ylpyrimidin-4-one with MolForge

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Related Compounds

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
3-[[1-[(2R)-3-cyclohexyl-2-methylpropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-6-(2H-pyrrol-3-yl)pyrimidin-4-one
CID 158315970
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-[[1-[(2R)-3-cyclohexyl-2-methylpropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-5-(2-oxopyrrolidin-1-yl)pyrazin-2-one
CID 153332374
1-[[(4S)-1-[(2R)-3-cyclohexyl-2-methylpropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-4-cyclopropyl-N,N-dimethyl-6-oxopyridine-3-carboxamide
CID 134218584
1-[[(4R)-1-[(2R)-3-cyclohexyl-2-methylpropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-4-cyclopropyl-N,N-dimethyl-6-oxopyridine-3-carboxamide
CID 139346949
3-[[1-(3-cyclohexylpropanoyl)-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-6-thiophen-3-ylpyrimidin-4-one
CID 145450475
1-[[(4R)-1-(3-cyclohexyl-2-methylpropanoyl)-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-5-(4-hydroxypiperidine-1-carbonyl)-4-phenylpyridin-2-one
CID 139346973
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
1-[[(4R)-1-(3-cyclohexyl-2-methylpropanoyl)-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-4-phenyl-5-(piperazine-1-carbonyl)pyridin-2-one
CID 139347138
(4S)-1-[[1-[(2R)-3-cyclohexyl-2-methylpropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-4-phenylpyrrolidin-2-one
CID 139369775

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(3-cyclohexyl-2-methylpropanoyl)-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-6-pyrimidin-5-ylpyrimidin-4-one?
The IUPAC name of 3-[[1-(3-cyclohexyl-2-methylpropanoyl)-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-6-pyrimidin-5-ylpyrimidin-4-one (CID 139346906) is 3-[[1-(3-cyclohexyl-2-methylpropanoyl)-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-6-pyrimidin-5-ylpyrimidin-4-one.
What is the SMILES notation for 3-[[1-(3-cyclohexyl-2-methylpropanoyl)-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-6-pyrimidin-5-ylpyrimidin-4-one?
The canonical SMILES for 3-[[1-(3-cyclohexyl-2-methylpropanoyl)-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-6-pyrimidin-5-ylpyrimidin-4-one is CC(CC1CCCCC1)C(=O)N1CCC(O)(Cn2cnc(-c3cncnc3)cc2=O)C(C)(C)C1.
What is the InChIKey of 3-[[1-(3-cyclohexyl-2-methylpropanoyl)-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-6-pyrimidin-5-ylpyrimidin-4-one?
The InChIKey is GZFKMOKZJQNTDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N5O3/c1-19(11-20-7-5-4-6-8-20)24(33)30-10-9-26(34,25(2,3)15-30)16-31-18-29-22(12-23(31)32)21-13-27-17-28-14-21/h12-14,17-20,34H,4-11,15-16H2,1-3H3.
What are the key properties of 3-[[1-(3-cyclohexyl-2-methylpropanoyl)-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-6-pyrimidin-5-ylpyrimidin-4-one?
3-[[1-(3-cyclohexyl-2-methylpropanoyl)-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-6-pyrimidin-5-ylpyrimidin-4-one has a molecular weight of 467.61 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(3-cyclohexyl-2-methylpropanoyl)-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-6-pyrimidin-5-ylpyrimidin-4-one is sourced from PubChem (CID 139346906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).