1,6-dimethyl-4-[1-(2-oxochromene-3-carbonyl)piperidin-4-yl]oxypyridin-2-one

C22H22N2O5 — CID 86265656

IUPAC1,6-dimethyl-4-[1-(2-oxochromene-3-carbonyl)piperidin-4-yl]oxypyridin-2-one
SMILESCc1cc(OC2CCN(C(=O)c3cc4ccccc4oc3=O)CC2)cc(=O)n1C
InChIInChI=1S/C22H22N2O5/c1-14-11-17(13-20(25)23(14)2)28-16-7-9-24(10-8-16)21(26)18-12-15-5-3-4-6-19(15)29-22(18)27/h3-6,11-13,16H,7-10H2,1-2H3
InChIKeyFJXULFQHHXGBQQ-UHFFFAOYSA-N
MW394.43 g/mol
LogP2.48
Rot. Bonds3

About 1,6-dimethyl-4-[1-(2-oxochromene-3-carbonyl)piperidin-4-yl]oxypyridin-2-one

1,6-dimethyl-4-[1-(2-oxochromene-3-carbonyl)piperidin-4-yl]oxypyridin-2-one (PubChem CID 86265656) has the molecular formula C22H22N2O5 and a molecular weight of 394.43 g/mol. Its IUPAC name is 1,6-dimethyl-4-[1-(2-oxochromene-3-carbonyl)piperidin-4-yl]oxypyridin-2-one.

Molecular Properties

Compound Name1,6-dimethyl-4-[1-(2-oxochromene-3-carbonyl)piperidin-4-yl]oxypyridin-2-one
PubChem CID86265656
Molecular FormulaC22H22N2O5
Molecular Weight394.43 g/mol
Exact Mass394.15
IUPAC Name1,6-dimethyl-4-[1-(2-oxochromene-3-carbonyl)piperidin-4-yl]oxypyridin-2-one
SMILESCc1cc(OC2CCN(C(=O)c3cc4ccccc4oc3=O)CC2)cc(=O)n1C
InChIInChI=1S/C22H22N2O5/c1-14-11-17(13-20(25)23(14)2)28-16-7-9-24(10-8-16)21(26)18-12-15-5-3-4-6-19(15)29-22(18)27/h3-6,11-13,16H,7-10H2,1-2H3
InChIKeyFJXULFQHHXGBQQ-UHFFFAOYSA-N
XLogP2.48
TPSA81.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

3-[4-(2-oxochromene-3-carbonyl)-1,4-diazepane-1-carbonyl]chromen-2-one
CID 1224770
3-(azepane-1-carbonyl)chromen-2-one
CID 716526
methyl 4-(2-oxochromene-3-carbonyl)piperazine-1-carboxylate
CID 110803234
3-(4-cyclopropylpiperazine-1-carbonyl)chromen-2-one
CID 86853717
4-[1-(2-bromo-5-methoxybenzoyl)piperidin-4-yl]oxy-1,6-dimethylpyridin-2-one
CID 86265657
3-[4-(4-methoxyphenyl)sulfonylpiperidine-1-carbonyl]chromen-2-one
CID 90591754
4-[1-(1,3-benzothiazole-2-carbonyl)piperidin-4-yl]oxy-1,6-dimethylpyridin-2-one
CID 121156264
1,6-dimethyl-4-[1-(2-phenoxyacetyl)piperidin-4-yl]oxypyridin-2-one
CID 121156235
3-[4-(4-methylbenzoyl)piperazine-1-carbonyl]chromen-2-one
CID 39572437
methyl 4-[4-[(1,2-dimethyl-6-oxo-4-pyridinyl)oxy]piperidine-1-carbonyl]benzoate
CID 121156265
1,6-dimethyl-4-[1-(2-phenoxypropanoyl)piperidin-4-yl]oxypyridin-2-one
CID 121156254
3-[(3S)-3-(2-methylphenyl)pyrrolidine-1-carbonyl]chromen-2-one
CID 95596933

Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-4-[1-(2-oxochromene-3-carbonyl)piperidin-4-yl]oxypyridin-2-one?
The IUPAC name of 1,6-dimethyl-4-[1-(2-oxochromene-3-carbonyl)piperidin-4-yl]oxypyridin-2-one (CID 86265656) is 1,6-dimethyl-4-[1-(2-oxochromene-3-carbonyl)piperidin-4-yl]oxypyridin-2-one.
What is the SMILES notation for 1,6-dimethyl-4-[1-(2-oxochromene-3-carbonyl)piperidin-4-yl]oxypyridin-2-one?
The canonical SMILES for 1,6-dimethyl-4-[1-(2-oxochromene-3-carbonyl)piperidin-4-yl]oxypyridin-2-one is Cc1cc(OC2CCN(C(=O)c3cc4ccccc4oc3=O)CC2)cc(=O)n1C.
What is the InChIKey of 1,6-dimethyl-4-[1-(2-oxochromene-3-carbonyl)piperidin-4-yl]oxypyridin-2-one?
The InChIKey is FJXULFQHHXGBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O5/c1-14-11-17(13-20(25)23(14)2)28-16-7-9-24(10-8-16)21(26)18-12-15-5-3-4-6-19(15)29-22(18)27/h3-6,11-13,16H,7-10H2,1-2H3.
What are the key properties of 1,6-dimethyl-4-[1-(2-oxochromene-3-carbonyl)piperidin-4-yl]oxypyridin-2-one?
1,6-dimethyl-4-[1-(2-oxochromene-3-carbonyl)piperidin-4-yl]oxypyridin-2-one has a molecular weight of 394.43 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-4-[1-(2-oxochromene-3-carbonyl)piperidin-4-yl]oxypyridin-2-one is sourced from PubChem (CID 86265656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).