5-acetyl-1-piperidin-1-ylpyrimidine-2,4-dione

C11H15N3O3 — CID 3778177

IUPAC5-acetyl-1-piperidin-1-ylpyrimidine-2,4-dione
SMILESCC(=O)c1cn(N2CCCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C11H15N3O3/c1-8(15)9-7-14(11(17)12-10(9)16)13-5-3-2-4-6-13/h7H,2-6H2,1H3,(H,12,16,17)
InChIKeySKSMOJQROXCHSE-UHFFFAOYSA-N
MW237.26 g/mol
LogP-0.14
Rot. Bonds2

About 5-acetyl-1-piperidin-1-ylpyrimidine-2,4-dione

5-acetyl-1-piperidin-1-ylpyrimidine-2,4-dione (PubChem CID 3778177) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 5-acetyl-1-piperidin-1-ylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-acetyl-1-piperidin-1-ylpyrimidine-2,4-dione
PubChem CID3778177
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name5-acetyl-1-piperidin-1-ylpyrimidine-2,4-dione
SMILESCC(=O)c1cn(N2CCCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C11H15N3O3/c1-8(15)9-7-14(11(17)12-10(9)16)13-5-3-2-4-6-13/h7H,2-6H2,1H3,(H,12,16,17)
InChIKeySKSMOJQROXCHSE-UHFFFAOYSA-N
XLogP-0.14
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-1-piperidin-1-ylpyrimidine-2,4-dione?
The IUPAC name of 5-acetyl-1-piperidin-1-ylpyrimidine-2,4-dione (CID 3778177) is 5-acetyl-1-piperidin-1-ylpyrimidine-2,4-dione.
What is the SMILES notation for 5-acetyl-1-piperidin-1-ylpyrimidine-2,4-dione?
The canonical SMILES for 5-acetyl-1-piperidin-1-ylpyrimidine-2,4-dione is CC(=O)c1cn(N2CCCCC2)c(=O)[nH]c1=O.
What is the InChIKey of 5-acetyl-1-piperidin-1-ylpyrimidine-2,4-dione?
The InChIKey is SKSMOJQROXCHSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-8(15)9-7-14(11(17)12-10(9)16)13-5-3-2-4-6-13/h7H,2-6H2,1H3,(H,12,16,17).
What are the key properties of 5-acetyl-1-piperidin-1-ylpyrimidine-2,4-dione?
5-acetyl-1-piperidin-1-ylpyrimidine-2,4-dione has a molecular weight of 237.26 g/mol, XLogP of -0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-1-piperidin-1-ylpyrimidine-2,4-dione is sourced from PubChem (CID 3778177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).