5-[3-(3-hydroxy-4-methylpiperidin-1-yl)-3-oxopropyl]-6-methyl-1H-pyrimidine-2,4-dione

C14H21N3O4 — CID 103901104

IUPAC5-[3-(3-hydroxy-4-methylpiperidin-1-yl)-3-oxopropyl]-6-methyl-1H-pyrimidine-2,4-dione
SMILESCc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N1CCC(C)C(O)C1
InChIInChI=1S/C14H21N3O4/c1-8-5-6-17(7-11(8)18)12(19)4-3-10-9(2)15-14(21)16-13(10)20/h8,11,18H,3-7H2,1-2H3,(H2,15,16,20,21)
InChIKeyLZCWGCOMZBCASL-UHFFFAOYSA-N
MW295.34 g/mol
LogP-0.47
Rot. Bonds3

About 5-[3-(3-hydroxy-4-methylpiperidin-1-yl)-3-oxopropyl]-6-methyl-1H-pyrimidine-2,4-dione

5-[3-(3-hydroxy-4-methylpiperidin-1-yl)-3-oxopropyl]-6-methyl-1H-pyrimidine-2,4-dione (PubChem CID 103901104) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is 5-[3-(3-hydroxy-4-methylpiperidin-1-yl)-3-oxopropyl]-6-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[3-(3-hydroxy-4-methylpiperidin-1-yl)-3-oxopropyl]-6-methyl-1H-pyrimidine-2,4-dione
PubChem CID103901104
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Name5-[3-(3-hydroxy-4-methylpiperidin-1-yl)-3-oxopropyl]-6-methyl-1H-pyrimidine-2,4-dione
SMILESCc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N1CCC(C)C(O)C1
InChIInChI=1S/C14H21N3O4/c1-8-5-6-17(7-11(8)18)12(19)4-3-10-9(2)15-14(21)16-13(10)20/h8,11,18H,3-7H2,1-2H3,(H2,15,16,20,21)
InChIKeyLZCWGCOMZBCASL-UHFFFAOYSA-N
XLogP-0.47
TPSA106.26 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-[3-(3-hydroxy-4-methylpiperidin-1-yl)-3-oxopropyl]-6-methyl-1H-pyrimidine-2,4-dione with MolForge

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Related Compounds

6-methyl-5-[3-[4-(N-methylanilino)piperidin-1-yl]-3-oxopropyl]-1H-pyrimidine-2,4-dione
CID 47066108
1-(3-hydroxy-4-methylpiperidin-1-yl)-3-(4-methylphenyl)propan-1-one
CID 103900134
6-methyl-5-[3-oxo-3-(5-oxo-1,4-diazepan-1-yl)propyl]-1H-pyrimidine-2,4-dione
CID 62045733
5-[2-(3-hydroxy-4-methylpiperidin-1-yl)-2-oxoethyl]-4,6-dimethyl-1H-pyrimidin-2-one
CID 102958620
1-(3-hydroxy-4-methylpiperidin-1-yl)-3-phenylpropan-1-one
CID 103900621
5-[3-[(2R)-2-cyclopentylpyrrolidin-1-yl]-3-oxopropyl]-6-methyl-1H-pyrimidine-2,4-dione
CID 94637332
6-methyl-5-[3-[(2R)-2-(4-methylphenyl)pyrrolidin-1-yl]-3-oxopropyl]-1H-pyrimidine-2,4-dione
CID 30839513
1-(3-hydroxy-4-methylpiperidin-1-yl)decan-1-one
CID 103900332
6-methyl-5-[2-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
CID 72878302
3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(3S,4R)-3-methoxy-4-methylpiperidin-1-yl]propan-1-one
CID 146103818
1-(3-hydroxy-4-methylpiperidin-1-yl)-3-(1H-indol-3-yl)propan-1-one
CID 103900607
N-[1-[3-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)propanoyl]piperidin-4-yl]methanesulfonamide
CID 22110277

Frequently Asked Questions

What is the IUPAC name of 5-[3-(3-hydroxy-4-methylpiperidin-1-yl)-3-oxopropyl]-6-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[3-(3-hydroxy-4-methylpiperidin-1-yl)-3-oxopropyl]-6-methyl-1H-pyrimidine-2,4-dione (CID 103901104) is 5-[3-(3-hydroxy-4-methylpiperidin-1-yl)-3-oxopropyl]-6-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[3-(3-hydroxy-4-methylpiperidin-1-yl)-3-oxopropyl]-6-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[3-(3-hydroxy-4-methylpiperidin-1-yl)-3-oxopropyl]-6-methyl-1H-pyrimidine-2,4-dione is Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N1CCC(C)C(O)C1.
What is the InChIKey of 5-[3-(3-hydroxy-4-methylpiperidin-1-yl)-3-oxopropyl]-6-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is LZCWGCOMZBCASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-8-5-6-17(7-11(8)18)12(19)4-3-10-9(2)15-14(21)16-13(10)20/h8,11,18H,3-7H2,1-2H3,(H2,15,16,20,21).
What are the key properties of 5-[3-(3-hydroxy-4-methylpiperidin-1-yl)-3-oxopropyl]-6-methyl-1H-pyrimidine-2,4-dione?
5-[3-(3-hydroxy-4-methylpiperidin-1-yl)-3-oxopropyl]-6-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 295.34 g/mol, XLogP of -0.47, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3-hydroxy-4-methylpiperidin-1-yl)-3-oxopropyl]-6-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 103901104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).