1-ethyl-3-(piperidin-4-ylmethyl)pyrimidine-2,4-dione

C12H19N3O2 — CID 63800860

IUPAC1-ethyl-3-(piperidin-4-ylmethyl)pyrimidine-2,4-dione
SMILESCCn1ccc(=O)n(CC2CCNCC2)c1=O
InChIInChI=1S/C12H19N3O2/c1-2-14-8-5-11(16)15(12(14)17)9-10-3-6-13-7-4-10/h5,8,10,13H,2-4,6-7,9H2,1H3
InChIKeyISUGNIJLQDJTEY-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.03
Rot. Bonds3

About 1-ethyl-3-(piperidin-4-ylmethyl)pyrimidine-2,4-dione

1-ethyl-3-(piperidin-4-ylmethyl)pyrimidine-2,4-dione (PubChem CID 63800860) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-ethyl-3-(piperidin-4-ylmethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-ethyl-3-(piperidin-4-ylmethyl)pyrimidine-2,4-dione
PubChem CID63800860
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name1-ethyl-3-(piperidin-4-ylmethyl)pyrimidine-2,4-dione
SMILESCCn1ccc(=O)n(CC2CCNCC2)c1=O
InChIInChI=1S/C12H19N3O2/c1-2-14-8-5-11(16)15(12(14)17)9-10-3-6-13-7-4-10/h5,8,10,13H,2-4,6-7,9H2,1H3
InChIKeyISUGNIJLQDJTEY-UHFFFAOYSA-N
XLogP0.03
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(piperidin-4-ylmethyl)pyrimidine-2,4-dione?
The IUPAC name of 1-ethyl-3-(piperidin-4-ylmethyl)pyrimidine-2,4-dione (CID 63800860) is 1-ethyl-3-(piperidin-4-ylmethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-ethyl-3-(piperidin-4-ylmethyl)pyrimidine-2,4-dione?
The canonical SMILES for 1-ethyl-3-(piperidin-4-ylmethyl)pyrimidine-2,4-dione is CCn1ccc(=O)n(CC2CCNCC2)c1=O.
What is the InChIKey of 1-ethyl-3-(piperidin-4-ylmethyl)pyrimidine-2,4-dione?
The InChIKey is ISUGNIJLQDJTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-2-14-8-5-11(16)15(12(14)17)9-10-3-6-13-7-4-10/h5,8,10,13H,2-4,6-7,9H2,1H3.
What are the key properties of 1-ethyl-3-(piperidin-4-ylmethyl)pyrimidine-2,4-dione?
1-ethyl-3-(piperidin-4-ylmethyl)pyrimidine-2,4-dione has a molecular weight of 237.30 g/mol, XLogP of 0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(piperidin-4-ylmethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 63800860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).