1-(5-pyridin-3-ylpyrimidin-2-yl)piperidin-4-one

C14H14N4O — CID 116976534

IUPAC1-(5-pyridin-3-ylpyrimidin-2-yl)piperidin-4-one
SMILESO=C1CCN(c2ncc(-c3cccnc3)cn2)CC1
InChIInChI=1S/C14H14N4O/c19-13-3-6-18(7-4-13)14-16-9-12(10-17-14)11-2-1-5-15-8-11/h1-2,5,8-10H,3-4,6-7H2
InChIKeyNZFZSWQDEDCUPV-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.71
Rot. Bonds2

About 1-(5-pyridin-3-ylpyrimidin-2-yl)piperidin-4-one

1-(5-pyridin-3-ylpyrimidin-2-yl)piperidin-4-one (PubChem CID 116976534) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 1-(5-pyridin-3-ylpyrimidin-2-yl)piperidin-4-one.

Molecular Properties

Compound Name1-(5-pyridin-3-ylpyrimidin-2-yl)piperidin-4-one
PubChem CID116976534
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name1-(5-pyridin-3-ylpyrimidin-2-yl)piperidin-4-one
SMILESO=C1CCN(c2ncc(-c3cccnc3)cn2)CC1
InChIInChI=1S/C14H14N4O/c19-13-3-6-18(7-4-13)14-16-9-12(10-17-14)11-2-1-5-15-8-11/h1-2,5,8-10H,3-4,6-7H2
InChIKeyNZFZSWQDEDCUPV-UHFFFAOYSA-N
XLogP1.71
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(5-pyridin-3-ylpyrimidin-2-yl)piperidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(5-pyridin-3-ylpyrimidin-2-yl)piperidin-4-one?
The IUPAC name of 1-(5-pyridin-3-ylpyrimidin-2-yl)piperidin-4-one (CID 116976534) is 1-(5-pyridin-3-ylpyrimidin-2-yl)piperidin-4-one.
What is the SMILES notation for 1-(5-pyridin-3-ylpyrimidin-2-yl)piperidin-4-one?
The canonical SMILES for 1-(5-pyridin-3-ylpyrimidin-2-yl)piperidin-4-one is O=C1CCN(c2ncc(-c3cccnc3)cn2)CC1.
What is the InChIKey of 1-(5-pyridin-3-ylpyrimidin-2-yl)piperidin-4-one?
The InChIKey is NZFZSWQDEDCUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c19-13-3-6-18(7-4-13)14-16-9-12(10-17-14)11-2-1-5-15-8-11/h1-2,5,8-10H,3-4,6-7H2.
What are the key properties of 1-(5-pyridin-3-ylpyrimidin-2-yl)piperidin-4-one?
1-(5-pyridin-3-ylpyrimidin-2-yl)piperidin-4-one has a molecular weight of 254.29 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-pyridin-3-ylpyrimidin-2-yl)piperidin-4-one is sourced from PubChem (CID 116976534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).