5-[2-[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione

C20H25N3O4 — CID 70737216

IUPAC5-[2-[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione
SMILESCc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1CCC(C(O)Cc2ccccc2)CC1
InChIInChI=1S/C20H25N3O4/c1-13-16(19(26)22-20(27)21-13)12-18(25)23-9-7-15(8-10-23)17(24)11-14-5-3-2-4-6-14/h2-6,15,17,24H,7-12H2,1H3,(H2,21,22,26,27)
InChIKeyXAAMSRDSCWCVMO-UHFFFAOYSA-N
MW371.44 g/mol
LogP0.76
Rot. Bonds5

About 5-[2-[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione

5-[2-[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione (PubChem CID 70737216) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is 5-[2-[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[2-[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione
PubChem CID70737216
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Name5-[2-[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione
SMILESCc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1CCC(C(O)Cc2ccccc2)CC1
InChIInChI=1S/C20H25N3O4/c1-13-16(19(26)22-20(27)21-13)12-18(25)23-9-7-15(8-10-23)17(24)11-14-5-3-2-4-6-14/h2-6,15,17,24H,7-12H2,1H3,(H2,21,22,26,27)
InChIKeyXAAMSRDSCWCVMO-UHFFFAOYSA-N
XLogP0.76
TPSA106.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-[2-[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione with MolForge

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Related Compounds

3-{[4-(1-Hydroxy-2-phenylethyl)-1-piperidinyl]carbonyl}-2,6-dimethyl-4-pyridinol
CID 70715638
N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]-2-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-propan-2-ylacetamide
CID 171353111
5-(2-{4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl}-2-oxoethyl)-6-methylpyrimidine-2,4(1H,3H)-dione
CID 131943491
5-[3-[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-3-oxopropyl]-6-methyl-1H-pyrimidine-2,4-dione
CID 166220949
5-{2-[(3S*,4R*)-3-benzyl-4-hydroxy-4-methylpiperidin-1-yl]-2-oxoethyl}-3-methylpyrimidine-2,4(1H,3H)-dione
CID 56739614
6-methyl-5-{2-oxo-2-[2-(3-phenylpropyl)-4-morpholinyl]ethyl}-2,4(1H,3H)-pyrimidinedione
CID 56867014
6-benzyl-3-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-5-propan-2-yl-1H-pyrimidine-2,4-dione
CID 142656423
6-benzyl-3-(4-hydroxy-2-oxobutyl)-5-propan-2-yl-1H-pyrimidine-2,4-dione
CID 142656426
6-benzyl-3-(4-hydroxy-2,2-dimethylbutyl)-5-propan-2-yl-1H-pyrimidine-2,4-dione
CID 142656438
6-benzyl-3-(2,4-dihydroxybutyl)-5-propan-2-yl-1H-pyrimidine-2,4-dione
CID 142656466
6-benzyl-3-(2-hydroxy-4-phenylmethoxybutyl)-5-propan-2-yl-1H-pyrimidine-2,4-dione
CID 142656475
6-benzyl-3-(1-hydroxy-4-phenylmethoxybutyl)-5-propan-2-yl-1H-pyrimidine-2,4-dione
CID 142656476

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[2-[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione (CID 70737216) is 5-[2-[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[2-[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[2-[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione is Cc1[nH]c(=O)[nH]c(=O)c1CC(=O)N1CCC(C(O)Cc2ccccc2)CC1.
What is the InChIKey of 5-[2-[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is XAAMSRDSCWCVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-13-16(19(26)22-20(27)21-13)12-18(25)23-9-7-15(8-10-23)17(24)11-14-5-3-2-4-6-14/h2-6,15,17,24H,7-12H2,1H3,(H2,21,22,26,27).
What are the key properties of 5-[2-[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione?
5-[2-[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 371.44 g/mol, XLogP of 0.76, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]-2-oxoethyl]-6-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 70737216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).