4-[4-(2-methylpyrimidin-4-yl)oxypiperidine-1-carbonyl]-1H-pyridin-2-one

C16H18N4O3 — CID 121162676

IUPAC4-[4-(2-methylpyrimidin-4-yl)oxypiperidine-1-carbonyl]-1H-pyridin-2-one
SMILESCc1nccc(OC2CCN(C(=O)c3cc[nH]c(=O)c3)CC2)n1
InChIInChI=1S/C16H18N4O3/c1-11-17-7-3-15(19-11)23-13-4-8-20(9-5-13)16(22)12-2-6-18-14(21)10-12/h2-3,6-7,10,13H,4-5,8-9H2,1H3,(H,18,21)
InChIKeyGCEGKMYHOKNZIW-UHFFFAOYSA-N
MW314.35 g/mol
LogP1.16
Rot. Bonds3

About 4-[4-(2-methylpyrimidin-4-yl)oxypiperidine-1-carbonyl]-1H-pyridin-2-one

4-[4-(2-methylpyrimidin-4-yl)oxypiperidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 121162676) has the molecular formula C16H18N4O3 and a molecular weight of 314.35 g/mol. Its IUPAC name is 4-[4-(2-methylpyrimidin-4-yl)oxypiperidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[4-(2-methylpyrimidin-4-yl)oxypiperidine-1-carbonyl]-1H-pyridin-2-one
PubChem CID121162676
Molecular FormulaC16H18N4O3
Molecular Weight314.35 g/mol
Exact Mass314.14
IUPAC Name4-[4-(2-methylpyrimidin-4-yl)oxypiperidine-1-carbonyl]-1H-pyridin-2-one
SMILESCc1nccc(OC2CCN(C(=O)c3cc[nH]c(=O)c3)CC2)n1
InChIInChI=1S/C16H18N4O3/c1-11-17-7-3-15(19-11)23-13-4-8-20(9-5-13)16(22)12-2-6-18-14(21)10-12/h2-3,6-7,10,13H,4-5,8-9H2,1H3,(H,18,21)
InChIKeyGCEGKMYHOKNZIW-UHFFFAOYSA-N
XLogP1.16
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methylpyrimidin-4-yl)oxypiperidine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 4-[4-(2-methylpyrimidin-4-yl)oxypiperidine-1-carbonyl]-1H-pyridin-2-one (CID 121162676) is 4-[4-(2-methylpyrimidin-4-yl)oxypiperidine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[4-(2-methylpyrimidin-4-yl)oxypiperidine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 4-[4-(2-methylpyrimidin-4-yl)oxypiperidine-1-carbonyl]-1H-pyridin-2-one is Cc1nccc(OC2CCN(C(=O)c3cc[nH]c(=O)c3)CC2)n1.
What is the InChIKey of 4-[4-(2-methylpyrimidin-4-yl)oxypiperidine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is GCEGKMYHOKNZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3/c1-11-17-7-3-15(19-11)23-13-4-8-20(9-5-13)16(22)12-2-6-18-14(21)10-12/h2-3,6-7,10,13H,4-5,8-9H2,1H3,(H,18,21).
What are the key properties of 4-[4-(2-methylpyrimidin-4-yl)oxypiperidine-1-carbonyl]-1H-pyridin-2-one?
4-[4-(2-methylpyrimidin-4-yl)oxypiperidine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 314.35 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methylpyrimidin-4-yl)oxypiperidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 121162676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).