3-[1-(2-chloro-6-methoxypyridine-4-carbonyl)piperidin-4-yl]-5-methyl-1,3-oxazolidin-2-one

C16H20ClN3O4 — CID 3874973

IUPAC3-[1-(2-chloro-6-methoxypyridine-4-carbonyl)piperidin-4-yl]-5-methyl-1,3-oxazolidin-2-one
SMILESCOc1cc(C(=O)N2CCC(N3CC(C)OC3=O)CC2)cc(Cl)n1
InChIInChI=1S/C16H20ClN3O4/c1-10-9-20(16(22)24-10)12-3-5-19(6-4-12)15(21)11-7-13(17)18-14(8-11)23-2/h7-8,10,12H,3-6,9H2,1-2H3
InChIKeyBBMYOFDJDGILMN-UHFFFAOYSA-N
MW353.81 g/mol
LogP2.19
Rot. Bonds3

About 3-[1-(2-chloro-6-methoxypyridine-4-carbonyl)piperidin-4-yl]-5-methyl-1,3-oxazolidin-2-one

3-[1-(2-chloro-6-methoxypyridine-4-carbonyl)piperidin-4-yl]-5-methyl-1,3-oxazolidin-2-one (PubChem CID 3874973) has the molecular formula C16H20ClN3O4 and a molecular weight of 353.81 g/mol. Its IUPAC name is 3-[1-(2-chloro-6-methoxypyridine-4-carbonyl)piperidin-4-yl]-5-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[1-(2-chloro-6-methoxypyridine-4-carbonyl)piperidin-4-yl]-5-methyl-1,3-oxazolidin-2-one
PubChem CID3874973
Molecular FormulaC16H20ClN3O4
Molecular Weight353.81 g/mol
Exact Mass353.11
IUPAC Name3-[1-(2-chloro-6-methoxypyridine-4-carbonyl)piperidin-4-yl]-5-methyl-1,3-oxazolidin-2-one
SMILESCOc1cc(C(=O)N2CCC(N3CC(C)OC3=O)CC2)cc(Cl)n1
InChIInChI=1S/C16H20ClN3O4/c1-10-9-20(16(22)24-10)12-3-5-19(6-4-12)15(21)11-7-13(17)18-14(8-11)23-2/h7-8,10,12H,3-6,9H2,1-2H3
InChIKeyBBMYOFDJDGILMN-UHFFFAOYSA-N
XLogP2.19
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-chloro-6-methoxypyridine-4-carbonyl)piperidin-4-yl]-5-methyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[1-(2-chloro-6-methoxypyridine-4-carbonyl)piperidin-4-yl]-5-methyl-1,3-oxazolidin-2-one (CID 3874973) is 3-[1-(2-chloro-6-methoxypyridine-4-carbonyl)piperidin-4-yl]-5-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[1-(2-chloro-6-methoxypyridine-4-carbonyl)piperidin-4-yl]-5-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[1-(2-chloro-6-methoxypyridine-4-carbonyl)piperidin-4-yl]-5-methyl-1,3-oxazolidin-2-one is COc1cc(C(=O)N2CCC(N3CC(C)OC3=O)CC2)cc(Cl)n1.
What is the InChIKey of 3-[1-(2-chloro-6-methoxypyridine-4-carbonyl)piperidin-4-yl]-5-methyl-1,3-oxazolidin-2-one?
The InChIKey is BBMYOFDJDGILMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O4/c1-10-9-20(16(22)24-10)12-3-5-19(6-4-12)15(21)11-7-13(17)18-14(8-11)23-2/h7-8,10,12H,3-6,9H2,1-2H3.
What are the key properties of 3-[1-(2-chloro-6-methoxypyridine-4-carbonyl)piperidin-4-yl]-5-methyl-1,3-oxazolidin-2-one?
3-[1-(2-chloro-6-methoxypyridine-4-carbonyl)piperidin-4-yl]-5-methyl-1,3-oxazolidin-2-one has a molecular weight of 353.81 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-chloro-6-methoxypyridine-4-carbonyl)piperidin-4-yl]-5-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 3874973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).