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

C19H26ClN3O4 — CID 3643779

IUPAC3-[1-(2-chloro-6-methoxypyridine-4-carbonyl)piperidin-4-yl]-4-(2-methylpropyl)-1,3-oxazolidin-2-one
SMILESCOc1cc(C(=O)N2CCC(N3C(=O)OCC3CC(C)C)CC2)cc(Cl)n1
InChIInChI=1S/C19H26ClN3O4/c1-12(2)8-15-11-27-19(25)23(15)14-4-6-22(7-5-14)18(24)13-9-16(20)21-17(10-13)26-3/h9-10,12,14-15H,4-8,11H2,1-3H3
InChIKeyDEMGUHHAOXLOJU-UHFFFAOYSA-N
MW395.89 g/mol
LogP3.22
Rot. Bonds5

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

3-[1-(2-chloro-6-methoxypyridine-4-carbonyl)piperidin-4-yl]-4-(2-methylpropyl)-1,3-oxazolidin-2-one (PubChem CID 3643779) has the molecular formula C19H26ClN3O4 and a molecular weight of 395.89 g/mol. Its IUPAC name is 3-[1-(2-chloro-6-methoxypyridine-4-carbonyl)piperidin-4-yl]-4-(2-methylpropyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[1-(2-chloro-6-methoxypyridine-4-carbonyl)piperidin-4-yl]-4-(2-methylpropyl)-1,3-oxazolidin-2-one
PubChem CID3643779
Molecular FormulaC19H26ClN3O4
Molecular Weight395.89 g/mol
Exact Mass395.16
IUPAC Name3-[1-(2-chloro-6-methoxypyridine-4-carbonyl)piperidin-4-yl]-4-(2-methylpropyl)-1,3-oxazolidin-2-one
SMILESCOc1cc(C(=O)N2CCC(N3C(=O)OCC3CC(C)C)CC2)cc(Cl)n1
InChIInChI=1S/C19H26ClN3O4/c1-12(2)8-15-11-27-19(25)23(15)14-4-6-22(7-5-14)18(24)13-9-16(20)21-17(10-13)26-3/h9-10,12,14-15H,4-8,11H2,1-3H3
InChIKeyDEMGUHHAOXLOJU-UHFFFAOYSA-N
XLogP3.22
TPSA71.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.89
LogP ≤ 53.22
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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Related Compounds

4-(2-methylpropyl)-3-[1-(1H-pyrazole-4-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 4686292
(4R)-3-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-4-(2-methylpropyl)-1,3-oxazolidin-2-one
CID 23909948
3-[1-(2-chloro-6-methoxypyridine-4-carbonyl)piperidin-4-yl]-5-methyl-1,3-oxazolidin-2-one
CID 3874973
(4S,5R)-3-[1-(2-chloro-6-methoxypyridine-4-carbonyl)piperidin-4-yl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 74229518
3-[1-[2-[4-(dimethylamino)phenyl]acetyl]piperidin-4-yl]-4-(2-methylpropyl)-1,3-oxazolidin-2-one
CID 3417317
(2-chloro-6-methoxy-4-pyridinyl)-(2-methylmorpholin-4-yl)methanone
CID 172648268
1,3-dimethyl-7-[2-[4-[(4R)-4-(2-methylpropyl)-2-oxo-1,3-oxazolidin-3-yl]piperidin-1-yl]-2-oxoethyl]purine-2,6-dione
CID 23854569
4-(2-methylpropyl)-3-[1-[2-(2-phenylethenylsulfonyl)acetyl]piperidin-4-yl]-1,3-oxazolidin-2-one
CID 3708594
N-(2-iodophenyl)-4-[4-(2-methylpropyl)-2-oxo-1,3-oxazolidin-3-yl]piperidine-1-carboxamide
CID 3445891
3-[1-(2,4-dichloro-6-methylphenyl)sulfonylpiperidin-4-yl]-4-(2-methylpropyl)-1,3-oxazolidin-2-one
CID 3800191
methyl 3-[4-(4-butyl-2-oxo-1,3-oxazolidin-3-yl)piperidine-1-carbonyl]benzoate
CID 3384869
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[4-(2-methylpropyl)-2-oxo-1,3-oxazolidin-3-yl]piperidine-1-carbothioamide
CID 3526299

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-chloro-6-methoxypyridine-4-carbonyl)piperidin-4-yl]-4-(2-methylpropyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-[1-(2-chloro-6-methoxypyridine-4-carbonyl)piperidin-4-yl]-4-(2-methylpropyl)-1,3-oxazolidin-2-one (CID 3643779) is 3-[1-(2-chloro-6-methoxypyridine-4-carbonyl)piperidin-4-yl]-4-(2-methylpropyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[1-(2-chloro-6-methoxypyridine-4-carbonyl)piperidin-4-yl]-4-(2-methylpropyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[1-(2-chloro-6-methoxypyridine-4-carbonyl)piperidin-4-yl]-4-(2-methylpropyl)-1,3-oxazolidin-2-one is COc1cc(C(=O)N2CCC(N3C(=O)OCC3CC(C)C)CC2)cc(Cl)n1.
What is the InChIKey of 3-[1-(2-chloro-6-methoxypyridine-4-carbonyl)piperidin-4-yl]-4-(2-methylpropyl)-1,3-oxazolidin-2-one?
The InChIKey is DEMGUHHAOXLOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN3O4/c1-12(2)8-15-11-27-19(25)23(15)14-4-6-22(7-5-14)18(24)13-9-16(20)21-17(10-13)26-3/h9-10,12,14-15H,4-8,11H2,1-3H3.
What are the key properties of 3-[1-(2-chloro-6-methoxypyridine-4-carbonyl)piperidin-4-yl]-4-(2-methylpropyl)-1,3-oxazolidin-2-one?
3-[1-(2-chloro-6-methoxypyridine-4-carbonyl)piperidin-4-yl]-4-(2-methylpropyl)-1,3-oxazolidin-2-one has a molecular weight of 395.89 g/mol, XLogP of 3.22, 5 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]-4-(2-methylpropyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 3643779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).