3-[2-oxo-2-[(3R)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]ethyl]-1,3-oxazinan-2-one

C20H25N5O4 — CID 155790737

About 3-[2-oxo-2-[(3R)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]ethyl]-1,3-oxazinan-2-one

3-[2-oxo-2-[(3R)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]ethyl]-1,3-oxazinan-2-one (PubChem CID 155790737) has the molecular formula C20H25N5O4 and a molecular weight of 399.45 g/mol. Its IUPAC name is 3-[2-oxo-2-[(3R)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]ethyl]-1,3-oxazinan-2-one.

Molecular Properties

• Compound Name: 3-[2-oxo-2-[(3R)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]ethyl]-1,3-oxazinan-2-one
• PubChem CID: 155790737
• Molecular Formula: C20H25N5O4
• Molecular Weight: 399.45 g/mol
• Exact Mass: 399.19
• IUPAC Name: 3-[2-oxo-2-[(3R)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]ethyl]-1,3-oxazinan-2-one
• SMILES: O=C(CN1CCCOC1=O)N1CCC[C@@H](COc2ccc(-c3ccn[nH]3)nc2)C1
• InChI: InChI=1S/C20H25N5O4/c26-19(13-25-9-2-10-28-20(25)27)24-8-1-3-15(12-24)14-29-16-4-5-17(21-11-16)18-6-7-22-23-18/h4-7,11,15H,1-3,8-10,12-14H2,(H,22,23)/t15-/m1/s1
• InChIKey: UTCCYBYSUYKHKX-OAHLLOKOSA-N
• XLogP: 1.93
• TPSA: 100.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	399.45
LogP ≤ 5	1.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[2-oxo-2-[(3R)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]ethyl]-1,3-oxazinan-2-one?

The IUPAC name of 3-[2-oxo-2-[(3R)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]ethyl]-1,3-oxazinan-2-one (CID 155790737) is 3-[2-oxo-2-[(3R)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]ethyl]-1,3-oxazinan-2-one.

What is the SMILES notation for 3-[2-oxo-2-[(3R)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]ethyl]-1,3-oxazinan-2-one?

The canonical SMILES for 3-[2-oxo-2-[(3R)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]ethyl]-1,3-oxazinan-2-one is O=C(CN1CCCOC1=O)N1CCC[C@@H](COc2ccc(-c3ccn[nH]3)nc2)C1.

What is the InChIKey of 3-[2-oxo-2-[(3R)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]ethyl]-1,3-oxazinan-2-one?

The InChIKey is UTCCYBYSUYKHKX-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H25N5O4/c26-19(13-25-9-2-10-28-20(25)27)24-8-1-3-15(12-24)14-29-16-4-5-17(21-11-16)18-6-7-22-23-18/h4-7,11,15H,1-3,8-10,12-14H2,(H,22,23)/t15-/m1/s1.

What are the key properties of 3-[2-oxo-2-[(3R)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]ethyl]-1,3-oxazinan-2-one?

3-[2-oxo-2-[(3R)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]ethyl]-1,3-oxazinan-2-one has a molecular weight of 399.45 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-oxo-2-[(3R)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]ethyl]-1,3-oxazinan-2-one is sourced from PubChem (CID 155790737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).