2-(3-pyridin-4-yloxypiperidine-1-carbonyl)chromen-4-one

C20H18N2O4 — CID 122255813

IUPAC2-(3-pyridin-4-yloxypiperidine-1-carbonyl)chromen-4-one
SMILESO=C(c1cc(=O)c2ccccc2o1)N1CCCC(Oc2ccncc2)C1
InChIInChI=1S/C20H18N2O4/c23-17-12-19(26-18-6-2-1-5-16(17)18)20(24)22-11-3-4-15(13-22)25-14-7-9-21-10-8-14/h1-2,5-10,12,15H,3-4,11,13H2
InChIKeyFLLYLLYGBSTZAT-UHFFFAOYSA-N
MW350.37 g/mol
LogP2.87
Rot. Bonds3

About 2-(3-pyridin-4-yloxypiperidine-1-carbonyl)chromen-4-one

2-(3-pyridin-4-yloxypiperidine-1-carbonyl)chromen-4-one (PubChem CID 122255813) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is 2-(3-pyridin-4-yloxypiperidine-1-carbonyl)chromen-4-one.

Molecular Properties

Compound Name2-(3-pyridin-4-yloxypiperidine-1-carbonyl)chromen-4-one
PubChem CID122255813
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Name2-(3-pyridin-4-yloxypiperidine-1-carbonyl)chromen-4-one
SMILESO=C(c1cc(=O)c2ccccc2o1)N1CCCC(Oc2ccncc2)C1
InChIInChI=1S/C20H18N2O4/c23-17-12-19(26-18-6-2-1-5-16(17)18)20(24)22-11-3-4-15(13-22)25-14-7-9-21-10-8-14/h1-2,5-10,12,15H,3-4,11,13H2
InChIKeyFLLYLLYGBSTZAT-UHFFFAOYSA-N
XLogP2.87
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-pyrimidin-4-yloxypiperidine-1-carbonyl)chromen-4-one
CID 122259866
2-[(3R)-3-ethoxypiperidine-1-carbonyl]chromen-4-one
CID 95582758
2-[(3S)-3-ethoxypiperidine-1-carbonyl]chromen-4-one
CID 95582759
2-[3-(2-methyl-6-oxopyran-4-yl)oxypyrrolidine-1-carbonyl]chromen-4-one
CID 90628576
(5-bromofuran-2-yl)-(3-pyridin-4-yloxypiperidin-1-yl)methanone
CID 122255794
2-[3-(6-methylpyridazin-3-yl)oxypyrrolidine-1-carbonyl]chromen-4-one
CID 90638745
2-(3-pyridin-2-yloxyazetidine-1-carbonyl)chromen-4-one
CID 122247215
2-[(3R)-3-(6-methylpyrazin-2-yl)piperidine-1-carbonyl]chromen-4-one
CID 124947056
2-[3-(4-methoxyphenyl)azepane-1-carbonyl]chromen-4-one
CID 121147054
2-[3-(1H-pyrazol-5-ylmethyl)piperidine-1-carbonyl]chromen-4-one
CID 110106509
2-[(3R)-3-(4-methoxyphenyl)pyrrolidine-1-carbonyl]chromen-4-one
CID 93480787
1-benzofuran-2-yl-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]methanone
CID 122257854

Frequently Asked Questions

What is the IUPAC name of 2-(3-pyridin-4-yloxypiperidine-1-carbonyl)chromen-4-one?
The IUPAC name of 2-(3-pyridin-4-yloxypiperidine-1-carbonyl)chromen-4-one (CID 122255813) is 2-(3-pyridin-4-yloxypiperidine-1-carbonyl)chromen-4-one.
What is the SMILES notation for 2-(3-pyridin-4-yloxypiperidine-1-carbonyl)chromen-4-one?
The canonical SMILES for 2-(3-pyridin-4-yloxypiperidine-1-carbonyl)chromen-4-one is O=C(c1cc(=O)c2ccccc2o1)N1CCCC(Oc2ccncc2)C1.
What is the InChIKey of 2-(3-pyridin-4-yloxypiperidine-1-carbonyl)chromen-4-one?
The InChIKey is FLLYLLYGBSTZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4/c23-17-12-19(26-18-6-2-1-5-16(17)18)20(24)22-11-3-4-15(13-22)25-14-7-9-21-10-8-14/h1-2,5-10,12,15H,3-4,11,13H2.
What are the key properties of 2-(3-pyridin-4-yloxypiperidine-1-carbonyl)chromen-4-one?
2-(3-pyridin-4-yloxypiperidine-1-carbonyl)chromen-4-one has a molecular weight of 350.37 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-pyridin-4-yloxypiperidine-1-carbonyl)chromen-4-one is sourced from PubChem (CID 122255813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).