(4-methoxyphenyl)-[1-(quinoxaline-2-carbonyl)piperidin-4-yl]methanone

C22H21N3O3 — CID 33365935

IUPAC(4-methoxyphenyl)-[1-(quinoxaline-2-carbonyl)piperidin-4-yl]methanone
SMILESCOc1ccc(C(=O)C2CCN(C(=O)c3cnc4ccccc4n3)CC2)cc1
InChIInChI=1S/C22H21N3O3/c1-28-17-8-6-15(7-9-17)21(26)16-10-12-25(13-11-16)22(27)20-14-23-18-4-2-3-5-19(18)24-20/h2-9,14,16H,10-13H2,1H3
InChIKeyBSYBRKQQADEAEB-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.37
Rot. Bonds4

About (4-methoxyphenyl)-[1-(quinoxaline-2-carbonyl)piperidin-4-yl]methanone

(4-methoxyphenyl)-[1-(quinoxaline-2-carbonyl)piperidin-4-yl]methanone (PubChem CID 33365935) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is (4-methoxyphenyl)-[1-(quinoxaline-2-carbonyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-[1-(quinoxaline-2-carbonyl)piperidin-4-yl]methanone
PubChem CID33365935
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name(4-methoxyphenyl)-[1-(quinoxaline-2-carbonyl)piperidin-4-yl]methanone
SMILESCOc1ccc(C(=O)C2CCN(C(=O)c3cnc4ccccc4n3)CC2)cc1
InChIInChI=1S/C22H21N3O3/c1-28-17-8-6-15(7-9-17)21(26)16-10-12-25(13-11-16)22(27)20-14-23-18-4-2-3-5-19(18)24-20/h2-9,14,16H,10-13H2,1H3
InChIKeyBSYBRKQQADEAEB-UHFFFAOYSA-N
XLogP3.37
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(4-methoxyphenyl)piperazin-1-yl]-quinoxalin-2-ylmethanone
CID 18192931
(4-methoxyphenyl)-[1-(2-phenyltriazole-4-carbonyl)piperidin-4-yl]methanone
CID 51324265
(4-hydroxyphenyl)-[1-(6-methoxyquinoline-2-carbonyl)piperidin-4-yl]methanone
CID 78836706
[4-(3,5-dimethoxyanilino)piperidin-1-yl]-quinoxalin-2-ylmethanone
CID 99814672
(4-methoxyphenyl)-[1-(6-methoxypyridine-3-carbonyl)piperidin-4-yl]methanone
CID 25475529
[1-(2-chlorobenzoyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 25473798
(4-aminopiperidin-1-yl)-quinoxalin-2-ylmethanone
CID 103629630
(4-methoxyphenyl)-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]methanone
CID 24688123
[4-(methylamino)piperidin-1-yl]-quinoxalin-2-ylmethanone;dihydrochloride
CID 119559840
methyl 6-(4-benzoylpiperidine-1-carbonyl)pyridine-3-carboxylate
CID 33364889
(4-methoxyphenyl)-[1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]methanone
CID 167817734
phenyl 4-(4-methoxybenzoyl)piperidine-1-carboxylate
CID 110394064

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-[1-(quinoxaline-2-carbonyl)piperidin-4-yl]methanone?
The IUPAC name of (4-methoxyphenyl)-[1-(quinoxaline-2-carbonyl)piperidin-4-yl]methanone (CID 33365935) is (4-methoxyphenyl)-[1-(quinoxaline-2-carbonyl)piperidin-4-yl]methanone.
What is the SMILES notation for (4-methoxyphenyl)-[1-(quinoxaline-2-carbonyl)piperidin-4-yl]methanone?
The canonical SMILES for (4-methoxyphenyl)-[1-(quinoxaline-2-carbonyl)piperidin-4-yl]methanone is COc1ccc(C(=O)C2CCN(C(=O)c3cnc4ccccc4n3)CC2)cc1.
What is the InChIKey of (4-methoxyphenyl)-[1-(quinoxaline-2-carbonyl)piperidin-4-yl]methanone?
The InChIKey is BSYBRKQQADEAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-28-17-8-6-15(7-9-17)21(26)16-10-12-25(13-11-16)22(27)20-14-23-18-4-2-3-5-19(18)24-20/h2-9,14,16H,10-13H2,1H3.
What are the key properties of (4-methoxyphenyl)-[1-(quinoxaline-2-carbonyl)piperidin-4-yl]methanone?
(4-methoxyphenyl)-[1-(quinoxaline-2-carbonyl)piperidin-4-yl]methanone has a molecular weight of 375.43 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-[1-(quinoxaline-2-carbonyl)piperidin-4-yl]methanone is sourced from PubChem (CID 33365935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).