1-(pyrimidine-4-carbonyl)piperidin-4-one

C10H11N3O2 — CID 130934366

IUPAC1-(pyrimidine-4-carbonyl)piperidin-4-one
SMILESO=C1CCN(C(=O)c2ccncn2)CC1
InChIInChI=1S/C10H11N3O2/c14-8-2-5-13(6-3-8)10(15)9-1-4-11-7-12-9/h1,4,7H,2-3,5-6H2
InChIKeyAPFWPLYYIIBXKC-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.28
Rot. Bonds1

About 1-(pyrimidine-4-carbonyl)piperidin-4-one

1-(pyrimidine-4-carbonyl)piperidin-4-one (PubChem CID 130934366) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 1-(pyrimidine-4-carbonyl)piperidin-4-one.

Molecular Properties

Compound Name1-(pyrimidine-4-carbonyl)piperidin-4-one
PubChem CID130934366
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name1-(pyrimidine-4-carbonyl)piperidin-4-one
SMILESO=C1CCN(C(=O)c2ccncn2)CC1
InChIInChI=1S/C10H11N3O2/c14-8-2-5-13(6-3-8)10(15)9-1-4-11-7-12-9/h1,4,7H,2-3,5-6H2
InChIKeyAPFWPLYYIIBXKC-UHFFFAOYSA-N
XLogP0.28
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(pyrimidine-4-carbonyl)piperidin-4-one?
The IUPAC name of 1-(pyrimidine-4-carbonyl)piperidin-4-one (CID 130934366) is 1-(pyrimidine-4-carbonyl)piperidin-4-one.
What is the SMILES notation for 1-(pyrimidine-4-carbonyl)piperidin-4-one?
The canonical SMILES for 1-(pyrimidine-4-carbonyl)piperidin-4-one is O=C1CCN(C(=O)c2ccncn2)CC1.
What is the InChIKey of 1-(pyrimidine-4-carbonyl)piperidin-4-one?
The InChIKey is APFWPLYYIIBXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c14-8-2-5-13(6-3-8)10(15)9-1-4-11-7-12-9/h1,4,7H,2-3,5-6H2.
What are the key properties of 1-(pyrimidine-4-carbonyl)piperidin-4-one?
1-(pyrimidine-4-carbonyl)piperidin-4-one has a molecular weight of 205.22 g/mol, XLogP of 0.28, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyrimidine-4-carbonyl)piperidin-4-one is sourced from PubChem (CID 130934366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).