3-[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]-4-methyl-6-piperidin-4-ylpyran-2-one

C20H25N3O5 — CID 170505270

IUPAC3-[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]-4-methyl-6-piperidin-4-ylpyran-2-one
SMILESCOCc1nc2c(o1)CCN(C(=O)c1c(C)cc(C3CCNCC3)oc1=O)C2
InChIInChI=1S/C20H25N3O5/c1-12-9-16(13-3-6-21-7-4-13)28-20(25)18(12)19(24)23-8-5-15-14(10-23)22-17(27-15)11-26-2/h9,13,21H,3-8,10-11H2,1-2H3
InChIKeyVDUPYLIEXWCRBE-UHFFFAOYSA-N
MW387.44 g/mol
LogP1.75
Rot. Bonds4

About 3-[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]-4-methyl-6-piperidin-4-ylpyran-2-one

3-[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]-4-methyl-6-piperidin-4-ylpyran-2-one (PubChem CID 170505270) has the molecular formula C20H25N3O5 and a molecular weight of 387.44 g/mol. Its IUPAC name is 3-[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]-4-methyl-6-piperidin-4-ylpyran-2-one.

Molecular Properties

Compound Name3-[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]-4-methyl-6-piperidin-4-ylpyran-2-one
PubChem CID170505270
Molecular FormulaC20H25N3O5
Molecular Weight387.44 g/mol
Exact Mass387.18
IUPAC Name3-[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]-4-methyl-6-piperidin-4-ylpyran-2-one
SMILESCOCc1nc2c(o1)CCN(C(=O)c1c(C)cc(C3CCNCC3)oc1=O)C2
InChIInChI=1S/C20H25N3O5/c1-12-9-16(13-3-6-21-7-4-13)28-20(25)18(12)19(24)23-8-5-15-14(10-23)22-17(27-15)11-26-2/h9,13,21H,3-8,10-11H2,1-2H3
InChIKeyVDUPYLIEXWCRBE-UHFFFAOYSA-N
XLogP1.75
TPSA97.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]-4-methyl-1-(3-propan-2-ylphenyl)pyridin-2-one
CID 172662628
1H-benzimidazol-2-yl-[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 170511011
2-(3,4-dimethoxyphenyl)-1-[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]ethanone
CID 169420314
3-[3-[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-3-oxopropyl]-1H-pyridazin-6-one
CID 170503868
(E)-1-[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-3-phenylprop-2-en-1-one
CID 169413703
6-cyclobutyl-3-(7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl)-4-methylpyran-2-one
CID 170506178
4-methyl-6-piperidin-4-yl-3-(spiro[indene-1,4'-piperidine]-1'-carbonyl)pyran-2-one;hydrochloride
CID 171708094
(2-fluoro-5-piperidin-4-ylphenyl)-[2-(3-methylbutyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 171906944
methyl 2-[4-(4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carbonyl)-2-oxopiperazin-1-yl]acetate;hydrochloride
CID 171707509
[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]-(2-morpholin-4-ylphenyl)methanone
CID 169421079
[2-[(1S)-1-amino-3-methylbutyl]-1,3-thiazol-4-yl]-[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]methanone
CID 170511587
2-(1H-benzimidazol-2-ylmethoxy)-1-[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl]ethanone
CID 169414516

Frequently Asked Questions

What is the IUPAC name of 3-[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]-4-methyl-6-piperidin-4-ylpyran-2-one?
The IUPAC name of 3-[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]-4-methyl-6-piperidin-4-ylpyran-2-one (CID 170505270) is 3-[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]-4-methyl-6-piperidin-4-ylpyran-2-one.
What is the SMILES notation for 3-[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]-4-methyl-6-piperidin-4-ylpyran-2-one?
The canonical SMILES for 3-[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]-4-methyl-6-piperidin-4-ylpyran-2-one is COCc1nc2c(o1)CCN(C(=O)c1c(C)cc(C3CCNCC3)oc1=O)C2.
What is the InChIKey of 3-[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]-4-methyl-6-piperidin-4-ylpyran-2-one?
The InChIKey is VDUPYLIEXWCRBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O5/c1-12-9-16(13-3-6-21-7-4-13)28-20(25)18(12)19(24)23-8-5-15-14(10-23)22-17(27-15)11-26-2/h9,13,21H,3-8,10-11H2,1-2H3.
What are the key properties of 3-[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]-4-methyl-6-piperidin-4-ylpyran-2-one?
3-[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]-4-methyl-6-piperidin-4-ylpyran-2-one has a molecular weight of 387.44 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(methoxymethyl)-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine-5-carbonyl]-4-methyl-6-piperidin-4-ylpyran-2-one is sourced from PubChem (CID 170505270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).