2-methyl-4-[1-[2-[[(2S)-oxan-2-yl]methoxy]acetyl]piperidin-4-yl]-1H-pyrimidin-6-one

C18H27N3O4 — CID 136748632

IUPAC2-methyl-4-[1-[2-[[(2S)-oxan-2-yl]methoxy]acetyl]piperidin-4-yl]-1H-pyrimidin-6-one
SMILESCc1nc(C2CCN(C(=O)COC[C@@H]3CCCCO3)CC2)cc(=O)[nH]1
InChIInChI=1S/C18H27N3O4/c1-13-19-16(10-17(22)20-13)14-5-7-21(8-6-14)18(23)12-24-11-15-4-2-3-9-25-15/h10,14-15H,2-9,11-12H2,1H3,(H,19,20,22)/t15-/m0/s1
InChIKeyARFRZDSHLYDFFI-HNNXBMFYSA-N
MW349.43 g/mol
LogP1.37
Rot. Bonds5

About 2-methyl-4-[1-[2-[[(2S)-oxan-2-yl]methoxy]acetyl]piperidin-4-yl]-1H-pyrimidin-6-one

2-methyl-4-[1-[2-[[(2S)-oxan-2-yl]methoxy]acetyl]piperidin-4-yl]-1H-pyrimidin-6-one (PubChem CID 136748632) has the molecular formula C18H27N3O4 and a molecular weight of 349.43 g/mol. Its IUPAC name is 2-methyl-4-[1-[2-[[(2S)-oxan-2-yl]methoxy]acetyl]piperidin-4-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-[1-[2-[[(2S)-oxan-2-yl]methoxy]acetyl]piperidin-4-yl]-1H-pyrimidin-6-one
PubChem CID136748632
Molecular FormulaC18H27N3O4
Molecular Weight349.43 g/mol
Exact Mass349.20
IUPAC Name2-methyl-4-[1-[2-[[(2S)-oxan-2-yl]methoxy]acetyl]piperidin-4-yl]-1H-pyrimidin-6-one
SMILESCc1nc(C2CCN(C(=O)COC[C@@H]3CCCCO3)CC2)cc(=O)[nH]1
InChIInChI=1S/C18H27N3O4/c1-13-19-16(10-17(22)20-13)14-5-7-21(8-6-14)18(23)12-24-11-15-4-2-3-9-25-15/h10,14-15H,2-9,11-12H2,1H3,(H,19,20,22)/t15-/m0/s1
InChIKeyARFRZDSHLYDFFI-HNNXBMFYSA-N
XLogP1.37
TPSA84.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[1-[2-[[(2S)-oxan-2-yl]methoxy]acetyl]piperidin-4-yl]-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-[1-[2-[[(2S)-oxan-2-yl]methoxy]acetyl]piperidin-4-yl]-1H-pyrimidin-6-one (CID 136748632) is 2-methyl-4-[1-[2-[[(2S)-oxan-2-yl]methoxy]acetyl]piperidin-4-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-[1-[2-[[(2S)-oxan-2-yl]methoxy]acetyl]piperidin-4-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-[1-[2-[[(2S)-oxan-2-yl]methoxy]acetyl]piperidin-4-yl]-1H-pyrimidin-6-one is Cc1nc(C2CCN(C(=O)COC[C@@H]3CCCCO3)CC2)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-4-[1-[2-[[(2S)-oxan-2-yl]methoxy]acetyl]piperidin-4-yl]-1H-pyrimidin-6-one?
The InChIKey is ARFRZDSHLYDFFI-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H27N3O4/c1-13-19-16(10-17(22)20-13)14-5-7-21(8-6-14)18(23)12-24-11-15-4-2-3-9-25-15/h10,14-15H,2-9,11-12H2,1H3,(H,19,20,22)/t15-/m0/s1.
What are the key properties of 2-methyl-4-[1-[2-[[(2S)-oxan-2-yl]methoxy]acetyl]piperidin-4-yl]-1H-pyrimidin-6-one?
2-methyl-4-[1-[2-[[(2S)-oxan-2-yl]methoxy]acetyl]piperidin-4-yl]-1H-pyrimidin-6-one has a molecular weight of 349.43 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[1-[2-[[(2S)-oxan-2-yl]methoxy]acetyl]piperidin-4-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136748632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).