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

C11H17N3O2 — CID 63800855

IUPAC1-methyl-3-(piperidin-4-ylmethyl)pyrimidine-2,4-dione
SMILESCn1ccc(=O)n(CC2CCNCC2)c1=O
InChIInChI=1S/C11H17N3O2/c1-13-7-4-10(15)14(11(13)16)8-9-2-5-12-6-3-9/h4,7,9,12H,2-3,5-6,8H2,1H3
InChIKeyJJVRBQIYCQQTIR-UHFFFAOYSA-N
MW223.28 g/mol
LogP-0.45
Rot. Bonds2

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

1-methyl-3-(piperidin-4-ylmethyl)pyrimidine-2,4-dione (PubChem CID 63800855) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 1-methyl-3-(piperidin-4-ylmethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-methyl-3-(piperidin-4-ylmethyl)pyrimidine-2,4-dione
PubChem CID63800855
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name1-methyl-3-(piperidin-4-ylmethyl)pyrimidine-2,4-dione
SMILESCn1ccc(=O)n(CC2CCNCC2)c1=O
InChIInChI=1S/C11H17N3O2/c1-13-7-4-10(15)14(11(13)16)8-9-2-5-12-6-3-9/h4,7,9,12H,2-3,5-6,8H2,1H3
InChIKeyJJVRBQIYCQQTIR-UHFFFAOYSA-N
XLogP-0.45
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(piperidin-4-ylmethyl)pyrimidine-2,4-dione?
The IUPAC name of 1-methyl-3-(piperidin-4-ylmethyl)pyrimidine-2,4-dione (CID 63800855) is 1-methyl-3-(piperidin-4-ylmethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-methyl-3-(piperidin-4-ylmethyl)pyrimidine-2,4-dione?
The canonical SMILES for 1-methyl-3-(piperidin-4-ylmethyl)pyrimidine-2,4-dione is Cn1ccc(=O)n(CC2CCNCC2)c1=O.
What is the InChIKey of 1-methyl-3-(piperidin-4-ylmethyl)pyrimidine-2,4-dione?
The InChIKey is JJVRBQIYCQQTIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-13-7-4-10(15)14(11(13)16)8-9-2-5-12-6-3-9/h4,7,9,12H,2-3,5-6,8H2,1H3.
What are the key properties of 1-methyl-3-(piperidin-4-ylmethyl)pyrimidine-2,4-dione?
1-methyl-3-(piperidin-4-ylmethyl)pyrimidine-2,4-dione has a molecular weight of 223.28 g/mol, XLogP of -0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(piperidin-4-ylmethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 63800855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).