5-acetyl-3-(2-piperidin-1-ylethyl)-1H-pyrimidine-2,4-dione

C13H19N3O3 — CID 80643126

IUPAC5-acetyl-3-(2-piperidin-1-ylethyl)-1H-pyrimidine-2,4-dione
SMILESCC(=O)c1c[nH]c(=O)n(CCN2CCCCC2)c1=O
InChIInChI=1S/C13H19N3O3/c1-10(17)11-9-14-13(19)16(12(11)18)8-7-15-5-3-2-4-6-15/h9H,2-8H2,1H3,(H,14,19)
InChIKeyPTRLCLYGFKNXHS-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.23
Rot. Bonds4

About 5-acetyl-3-(2-piperidin-1-ylethyl)-1H-pyrimidine-2,4-dione

5-acetyl-3-(2-piperidin-1-ylethyl)-1H-pyrimidine-2,4-dione (PubChem CID 80643126) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 5-acetyl-3-(2-piperidin-1-ylethyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-acetyl-3-(2-piperidin-1-ylethyl)-1H-pyrimidine-2,4-dione
PubChem CID80643126
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name5-acetyl-3-(2-piperidin-1-ylethyl)-1H-pyrimidine-2,4-dione
SMILESCC(=O)c1c[nH]c(=O)n(CCN2CCCCC2)c1=O
InChIInChI=1S/C13H19N3O3/c1-10(17)11-9-14-13(19)16(12(11)18)8-7-15-5-3-2-4-6-15/h9H,2-8H2,1H3,(H,14,19)
InChIKeyPTRLCLYGFKNXHS-UHFFFAOYSA-N
XLogP0.23
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-Acetyl-1-nonylpyrimidine-2,4-dione
CID 1815215
5-Acetyl-1-octylpyrimidine-2,4-dione
CID 5090858
5-acetyl-1-piperidino-2,4(1H,3H)-pyrimidinedione
CID 3778177
5-Acetyl-3-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 71755660
5-acetyl-1-decylpyrimidine-2,4(1H,3H)-dione
CID 1815357
5-acetyl-1-[7-(5-acetyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)heptyl]pyrimidine-2,4(1H,3H)-dione
CID 1815373
6-Amino-5-(2-piperidin-1-ylacetyl)-1-propylpyrimidine-2,4-dione
CID 4851012
5-hydroxy-1,3,6-trimethylpyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione
CID 33677178
Pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione, 5-hydroxy-1,3-dimethyl-7-(4-methylpiperazin-1-yl)-
CID 616532
5-Acetyl-3-ethylpyrimidine-2,4(1h,3h)-dione
CID 80643763
5-acetyl-3-(5,5,5-trifluoropentyl)-1H-pyrimidine-2,4-dione
CID 115523017
6-Amino-3-methyl-5-(2-piperidin-1-ylacetyl)-1-propylpyrimidine-2,4-dione
CID 2441153

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-3-(2-piperidin-1-ylethyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-acetyl-3-(2-piperidin-1-ylethyl)-1H-pyrimidine-2,4-dione (CID 80643126) is 5-acetyl-3-(2-piperidin-1-ylethyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-acetyl-3-(2-piperidin-1-ylethyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-acetyl-3-(2-piperidin-1-ylethyl)-1H-pyrimidine-2,4-dione is CC(=O)c1c[nH]c(=O)n(CCN2CCCCC2)c1=O.
What is the InChIKey of 5-acetyl-3-(2-piperidin-1-ylethyl)-1H-pyrimidine-2,4-dione?
The InChIKey is PTRLCLYGFKNXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-10(17)11-9-14-13(19)16(12(11)18)8-7-15-5-3-2-4-6-15/h9H,2-8H2,1H3,(H,14,19).
What are the key properties of 5-acetyl-3-(2-piperidin-1-ylethyl)-1H-pyrimidine-2,4-dione?
5-acetyl-3-(2-piperidin-1-ylethyl)-1H-pyrimidine-2,4-dione has a molecular weight of 265.31 g/mol, XLogP of 0.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-3-(2-piperidin-1-ylethyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 80643126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).