2-[(2-oxo-3-piperidin-1-ylpyrrolidin-1-yl)methyl]-1H-pyrimidin-6-one

C14H20N4O2 — CID 71212254

IUPAC2-[(2-oxo-3-piperidin-1-ylpyrrolidin-1-yl)methyl]-1H-pyrimidin-6-one
SMILESO=C1C(N2CCCCC2)CCN1Cc1nccc(=O)[nH]1
InChIInChI=1S/C14H20N4O2/c19-13-4-6-15-12(16-13)10-18-9-5-11(14(18)20)17-7-2-1-3-8-17/h4,6,11H,1-3,5,7-10H2,(H,15,16,19)
InChIKeyFNUZTVXHFYQPQG-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.36
Rot. Bonds3

About 2-[(2-oxo-3-piperidin-1-ylpyrrolidin-1-yl)methyl]-1H-pyrimidin-6-one

2-[(2-oxo-3-piperidin-1-ylpyrrolidin-1-yl)methyl]-1H-pyrimidin-6-one (PubChem CID 71212254) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-[(2-oxo-3-piperidin-1-ylpyrrolidin-1-yl)methyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(2-oxo-3-piperidin-1-ylpyrrolidin-1-yl)methyl]-1H-pyrimidin-6-one
PubChem CID71212254
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name2-[(2-oxo-3-piperidin-1-ylpyrrolidin-1-yl)methyl]-1H-pyrimidin-6-one
SMILESO=C1C(N2CCCCC2)CCN1Cc1nccc(=O)[nH]1
InChIInChI=1S/C14H20N4O2/c19-13-4-6-15-12(16-13)10-18-9-5-11(14(18)20)17-7-2-1-3-8-17/h4,6,11H,1-3,5,7-10H2,(H,15,16,19)
InChIKeyFNUZTVXHFYQPQG-UHFFFAOYSA-N
XLogP0.36
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-oxo-3-piperidin-1-ylpyrrolidin-1-yl)methyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-[(2-oxo-3-piperidin-1-ylpyrrolidin-1-yl)methyl]-1H-pyrimidin-6-one (CID 71212254) is 2-[(2-oxo-3-piperidin-1-ylpyrrolidin-1-yl)methyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(2-oxo-3-piperidin-1-ylpyrrolidin-1-yl)methyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(2-oxo-3-piperidin-1-ylpyrrolidin-1-yl)methyl]-1H-pyrimidin-6-one is O=C1C(N2CCCCC2)CCN1Cc1nccc(=O)[nH]1.
What is the InChIKey of 2-[(2-oxo-3-piperidin-1-ylpyrrolidin-1-yl)methyl]-1H-pyrimidin-6-one?
The InChIKey is FNUZTVXHFYQPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c19-13-4-6-15-12(16-13)10-18-9-5-11(14(18)20)17-7-2-1-3-8-17/h4,6,11H,1-3,5,7-10H2,(H,15,16,19).
What are the key properties of 2-[(2-oxo-3-piperidin-1-ylpyrrolidin-1-yl)methyl]-1H-pyrimidin-6-one?
2-[(2-oxo-3-piperidin-1-ylpyrrolidin-1-yl)methyl]-1H-pyrimidin-6-one has a molecular weight of 276.34 g/mol, XLogP of 0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-oxo-3-piperidin-1-ylpyrrolidin-1-yl)methyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 71212254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).