4-(4-pyrimidin-4-yloxypiperidine-1-carbonyl)-1H-pyridin-2-one

C15H16N4O3 — CID 121162100

IUPAC4-(4-pyrimidin-4-yloxypiperidine-1-carbonyl)-1H-pyridin-2-one
SMILESO=C(c1cc[nH]c(=O)c1)N1CCC(Oc2ccncn2)CC1
InChIInChI=1S/C15H16N4O3/c20-13-9-11(1-6-17-13)15(21)19-7-3-12(4-8-19)22-14-2-5-16-10-18-14/h1-2,5-6,9-10,12H,3-4,7-8H2,(H,17,20)
InChIKeyXBPYBVMTGLNEQV-UHFFFAOYSA-N
MW300.32 g/mol
LogP0.85
Rot. Bonds3

About 4-(4-pyrimidin-4-yloxypiperidine-1-carbonyl)-1H-pyridin-2-one

4-(4-pyrimidin-4-yloxypiperidine-1-carbonyl)-1H-pyridin-2-one (PubChem CID 121162100) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is 4-(4-pyrimidin-4-yloxypiperidine-1-carbonyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(4-pyrimidin-4-yloxypiperidine-1-carbonyl)-1H-pyridin-2-one
PubChem CID121162100
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC Name4-(4-pyrimidin-4-yloxypiperidine-1-carbonyl)-1H-pyridin-2-one
SMILESO=C(c1cc[nH]c(=O)c1)N1CCC(Oc2ccncn2)CC1
InChIInChI=1S/C15H16N4O3/c20-13-9-11(1-6-17-13)15(21)19-7-3-12(4-8-19)22-14-2-5-16-10-18-14/h1-2,5-6,9-10,12H,3-4,7-8H2,(H,17,20)
InChIKeyXBPYBVMTGLNEQV-UHFFFAOYSA-N
XLogP0.85
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-pyrimidin-4-yloxypiperidine-1-carbonyl)-1H-pyridin-2-one?
The IUPAC name of 4-(4-pyrimidin-4-yloxypiperidine-1-carbonyl)-1H-pyridin-2-one (CID 121162100) is 4-(4-pyrimidin-4-yloxypiperidine-1-carbonyl)-1H-pyridin-2-one.
What is the SMILES notation for 4-(4-pyrimidin-4-yloxypiperidine-1-carbonyl)-1H-pyridin-2-one?
The canonical SMILES for 4-(4-pyrimidin-4-yloxypiperidine-1-carbonyl)-1H-pyridin-2-one is O=C(c1cc[nH]c(=O)c1)N1CCC(Oc2ccncn2)CC1.
What is the InChIKey of 4-(4-pyrimidin-4-yloxypiperidine-1-carbonyl)-1H-pyridin-2-one?
The InChIKey is XBPYBVMTGLNEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3/c20-13-9-11(1-6-17-13)15(21)19-7-3-12(4-8-19)22-14-2-5-16-10-18-14/h1-2,5-6,9-10,12H,3-4,7-8H2,(H,17,20).
What are the key properties of 4-(4-pyrimidin-4-yloxypiperidine-1-carbonyl)-1H-pyridin-2-one?
4-(4-pyrimidin-4-yloxypiperidine-1-carbonyl)-1H-pyridin-2-one has a molecular weight of 300.32 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-pyrimidin-4-yloxypiperidine-1-carbonyl)-1H-pyridin-2-one is sourced from PubChem (CID 121162100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).