2-[(3R)-3-(6-methylpyrazin-2-yl)piperidine-1-carbonyl]chromen-4-one

C20H19N3O3 — CID 124947056

IUPAC2-[(3R)-3-(6-methylpyrazin-2-yl)piperidine-1-carbonyl]chromen-4-one
SMILESCc1cncc([C@@H]2CCCN(C(=O)c3cc(=O)c4ccccc4o3)C2)n1
InChIInChI=1S/C20H19N3O3/c1-13-10-21-11-16(22-13)14-5-4-8-23(12-14)20(25)19-9-17(24)15-6-2-3-7-18(15)26-19/h2-3,6-7,9-11,14H,4-5,8,12H2,1H3/t14-/m1/s1
InChIKeyCCUSABUIVAOXEA-CQSZACIVSA-N
MW349.39 g/mol
LogP2.91
Rot. Bonds2

About 2-[(3R)-3-(6-methylpyrazin-2-yl)piperidine-1-carbonyl]chromen-4-one

2-[(3R)-3-(6-methylpyrazin-2-yl)piperidine-1-carbonyl]chromen-4-one (PubChem CID 124947056) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 2-[(3R)-3-(6-methylpyrazin-2-yl)piperidine-1-carbonyl]chromen-4-one.

Molecular Properties

Compound Name2-[(3R)-3-(6-methylpyrazin-2-yl)piperidine-1-carbonyl]chromen-4-one
PubChem CID124947056
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name2-[(3R)-3-(6-methylpyrazin-2-yl)piperidine-1-carbonyl]chromen-4-one
SMILESCc1cncc([C@@H]2CCCN(C(=O)c3cc(=O)c4ccccc4o3)C2)n1
InChIInChI=1S/C20H19N3O3/c1-13-10-21-11-16(22-13)14-5-4-8-23(12-14)20(25)19-9-17(24)15-6-2-3-7-18(15)26-19/h2-3,6-7,9-11,14H,4-5,8,12H2,1H3/t14-/m1/s1
InChIKeyCCUSABUIVAOXEA-CQSZACIVSA-N
XLogP2.91
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(1,4-dimethylimidazol-2-yl)pyrrolidine-1-carbonyl]chromen-4-one
CID 110104889
[(3S)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 95845464
2-[3-(4-methoxyphenyl)azepane-1-carbonyl]chromen-4-one
CID 121147054
2-[(3R)-3-[5-methyl-2-(pyridin-3-ylmethylsulfanyl)pyrimidin-4-yl]piperidine-1-carbonyl]chromen-4-one
CID 42210971
(1-methylindol-3-yl)-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]methanone
CID 125002217
3-methyl-5-[(3R)-3-(6-methylpyrazin-2-yl)piperidine-1-carbonyl]-1,3-benzoxazol-2-one
CID 124991358
2-(3-pyridin-4-yloxypiperidine-1-carbonyl)chromen-4-one
CID 122255813
2-[(3S)-3-ethoxypiperidine-1-carbonyl]chromen-4-one
CID 95582759
2-[(3R)-3-ethoxypiperidine-1-carbonyl]chromen-4-one
CID 95582758
3-[2-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
CID 124954995
2-[(3R)-3-(4-methoxyphenyl)pyrrolidine-1-carbonyl]chromen-4-one
CID 93480787
2-[3-(3,4-dimethylanilino)piperidine-1-carbonyl]chromen-4-one
CID 45240420

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-(6-methylpyrazin-2-yl)piperidine-1-carbonyl]chromen-4-one?
The IUPAC name of 2-[(3R)-3-(6-methylpyrazin-2-yl)piperidine-1-carbonyl]chromen-4-one (CID 124947056) is 2-[(3R)-3-(6-methylpyrazin-2-yl)piperidine-1-carbonyl]chromen-4-one.
What is the SMILES notation for 2-[(3R)-3-(6-methylpyrazin-2-yl)piperidine-1-carbonyl]chromen-4-one?
The canonical SMILES for 2-[(3R)-3-(6-methylpyrazin-2-yl)piperidine-1-carbonyl]chromen-4-one is Cc1cncc([C@@H]2CCCN(C(=O)c3cc(=O)c4ccccc4o3)C2)n1.
What is the InChIKey of 2-[(3R)-3-(6-methylpyrazin-2-yl)piperidine-1-carbonyl]chromen-4-one?
The InChIKey is CCUSABUIVAOXEA-CQSZACIVSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-13-10-21-11-16(22-13)14-5-4-8-23(12-14)20(25)19-9-17(24)15-6-2-3-7-18(15)26-19/h2-3,6-7,9-11,14H,4-5,8,12H2,1H3/t14-/m1/s1.
What are the key properties of 2-[(3R)-3-(6-methylpyrazin-2-yl)piperidine-1-carbonyl]chromen-4-one?
2-[(3R)-3-(6-methylpyrazin-2-yl)piperidine-1-carbonyl]chromen-4-one has a molecular weight of 349.39 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-(6-methylpyrazin-2-yl)piperidine-1-carbonyl]chromen-4-one is sourced from PubChem (CID 124947056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).