7-methyl-2-[(3S)-3-(pyridine-2-carbonyl)piperidine-1-carbonyl]chromen-4-one

C22H20N2O4 — CID 124751539

IUPAC7-methyl-2-[(3S)-3-(pyridine-2-carbonyl)piperidine-1-carbonyl]chromen-4-one
SMILESCc1ccc2c(=O)cc(C(=O)N3CCC[C@H](C(=O)c4ccccn4)C3)oc2c1
InChIInChI=1S/C22H20N2O4/c1-14-7-8-16-18(25)12-20(28-19(16)11-14)22(27)24-10-4-5-15(13-24)21(26)17-6-2-3-9-23-17/h2-3,6-9,11-12,15H,4-5,10,13H2,1H3/t15-/m0/s1
InChIKeyGVMYKHHZYYSKIK-HNNXBMFYSA-N
MW376.41 g/mol
LogP3.23
Rot. Bonds3

About 7-methyl-2-[(3S)-3-(pyridine-2-carbonyl)piperidine-1-carbonyl]chromen-4-one

7-methyl-2-[(3S)-3-(pyridine-2-carbonyl)piperidine-1-carbonyl]chromen-4-one (PubChem CID 124751539) has the molecular formula C22H20N2O4 and a molecular weight of 376.41 g/mol. Its IUPAC name is 7-methyl-2-[(3S)-3-(pyridine-2-carbonyl)piperidine-1-carbonyl]chromen-4-one.

Molecular Properties

Compound Name7-methyl-2-[(3S)-3-(pyridine-2-carbonyl)piperidine-1-carbonyl]chromen-4-one
PubChem CID124751539
Molecular FormulaC22H20N2O4
Molecular Weight376.41 g/mol
Exact Mass376.14
IUPAC Name7-methyl-2-[(3S)-3-(pyridine-2-carbonyl)piperidine-1-carbonyl]chromen-4-one
SMILESCc1ccc2c(=O)cc(C(=O)N3CCC[C@H](C(=O)c4ccccn4)C3)oc2c1
InChIInChI=1S/C22H20N2O4/c1-14-7-8-16-18(25)12-20(28-19(16)11-14)22(27)24-10-4-5-15(13-24)21(26)17-6-2-3-9-23-17/h2-3,6-9,11-12,15H,4-5,10,13H2,1H3/t15-/m0/s1
InChIKeyGVMYKHHZYYSKIK-HNNXBMFYSA-N
XLogP3.23
TPSA80.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(3R)-1-(7-methyl-4-oxochromene-2-carbonyl)pyrrolidin-3-yl]methanesulfonamide
CID 125174116
[(3S)-1-(7-methyl-4-oxochromene-2-carbonyl)pyrrolidin-3-yl]methanesulfonamide
CID 125174119
2-(3-pyridin-4-yloxypiperidine-1-carbonyl)chromen-4-one
CID 122255813
2-(3-methyl-1,2-oxazol-5-yl)-1-[(3R)-3-(pyridine-2-carbonyl)piperidin-1-yl]ethanone
CID 124753059
2-[(3R)-3-(6-methylpyrazin-2-yl)piperidine-1-carbonyl]chromen-4-one
CID 124947056
2-[3-(3,4-dimethylanilino)piperidine-1-carbonyl]chromen-4-one
CID 45240420
1-(4-hydroxycyclohexyl)-4-methyl-3-[3-(pyridine-2-carbonyl)piperidine-1-carbonyl]pyridin-2-one
CID 172670130
2-[(3R)-3-ethoxypiperidine-1-carbonyl]chromen-4-one
CID 95582758
2-[(3S)-3-ethoxypiperidine-1-carbonyl]chromen-4-one
CID 95582759
[3-(3-methylphenyl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 70706897
2-(3-pyrimidin-4-yloxypiperidine-1-carbonyl)chromen-4-one
CID 122259866
(3R)-N-(1,3-dihydro-2-benzofuran-5-yl)-3-(pyridine-2-carbonyl)piperidine-1-carboxamide
CID 125157620

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-[(3S)-3-(pyridine-2-carbonyl)piperidine-1-carbonyl]chromen-4-one?
The IUPAC name of 7-methyl-2-[(3S)-3-(pyridine-2-carbonyl)piperidine-1-carbonyl]chromen-4-one (CID 124751539) is 7-methyl-2-[(3S)-3-(pyridine-2-carbonyl)piperidine-1-carbonyl]chromen-4-one.
What is the SMILES notation for 7-methyl-2-[(3S)-3-(pyridine-2-carbonyl)piperidine-1-carbonyl]chromen-4-one?
The canonical SMILES for 7-methyl-2-[(3S)-3-(pyridine-2-carbonyl)piperidine-1-carbonyl]chromen-4-one is Cc1ccc2c(=O)cc(C(=O)N3CCC[C@H](C(=O)c4ccccn4)C3)oc2c1.
What is the InChIKey of 7-methyl-2-[(3S)-3-(pyridine-2-carbonyl)piperidine-1-carbonyl]chromen-4-one?
The InChIKey is GVMYKHHZYYSKIK-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H20N2O4/c1-14-7-8-16-18(25)12-20(28-19(16)11-14)22(27)24-10-4-5-15(13-24)21(26)17-6-2-3-9-23-17/h2-3,6-9,11-12,15H,4-5,10,13H2,1H3/t15-/m0/s1.
What are the key properties of 7-methyl-2-[(3S)-3-(pyridine-2-carbonyl)piperidine-1-carbonyl]chromen-4-one?
7-methyl-2-[(3S)-3-(pyridine-2-carbonyl)piperidine-1-carbonyl]chromen-4-one has a molecular weight of 376.41 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-[(3S)-3-(pyridine-2-carbonyl)piperidine-1-carbonyl]chromen-4-one is sourced from PubChem (CID 124751539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).