3-methyl-5-(piperidine-1-carbonyl)-1H-pyrimidine-2,4-dione

C11H15N3O3 — CID 121025199

IUPAC3-methyl-5-(piperidine-1-carbonyl)-1H-pyrimidine-2,4-dione
SMILESCn1c(=O)[nH]cc(C(=O)N2CCCCC2)c1=O
InChIInChI=1S/C11H15N3O3/c1-13-9(15)8(7-12-11(13)17)10(16)14-5-3-2-4-6-14/h7H,2-6H2,1H3,(H,12,17)
InChIKeySHAQKAZXAKHWGF-UHFFFAOYSA-N
MW237.26 g/mol
LogP-0.30
Rot. Bonds1

About 3-methyl-5-(piperidine-1-carbonyl)-1H-pyrimidine-2,4-dione

3-methyl-5-(piperidine-1-carbonyl)-1H-pyrimidine-2,4-dione (PubChem CID 121025199) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 3-methyl-5-(piperidine-1-carbonyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-methyl-5-(piperidine-1-carbonyl)-1H-pyrimidine-2,4-dione
PubChem CID121025199
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name3-methyl-5-(piperidine-1-carbonyl)-1H-pyrimidine-2,4-dione
SMILESCn1c(=O)[nH]cc(C(=O)N2CCCCC2)c1=O
InChIInChI=1S/C11H15N3O3/c1-13-9(15)8(7-12-11(13)17)10(16)14-5-3-2-4-6-14/h7H,2-6H2,1H3,(H,12,17)
InChIKeySHAQKAZXAKHWGF-UHFFFAOYSA-N
XLogP-0.30
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(piperidine-1-carbonyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-methyl-5-(piperidine-1-carbonyl)-1H-pyrimidine-2,4-dione (CID 121025199) is 3-methyl-5-(piperidine-1-carbonyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-methyl-5-(piperidine-1-carbonyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-methyl-5-(piperidine-1-carbonyl)-1H-pyrimidine-2,4-dione is Cn1c(=O)[nH]cc(C(=O)N2CCCCC2)c1=O.
What is the InChIKey of 3-methyl-5-(piperidine-1-carbonyl)-1H-pyrimidine-2,4-dione?
The InChIKey is SHAQKAZXAKHWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-13-9(15)8(7-12-11(13)17)10(16)14-5-3-2-4-6-14/h7H,2-6H2,1H3,(H,12,17).
What are the key properties of 3-methyl-5-(piperidine-1-carbonyl)-1H-pyrimidine-2,4-dione?
3-methyl-5-(piperidine-1-carbonyl)-1H-pyrimidine-2,4-dione has a molecular weight of 237.26 g/mol, XLogP of -0.30, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(piperidine-1-carbonyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 121025199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).