(2-methoxyphenyl)-[1-(quinoxaline-5-carbonyl)piperidin-3-yl]methanone

C22H21N3O3 — CID 45180688

IUPAC(2-methoxyphenyl)-[1-(quinoxaline-5-carbonyl)piperidin-3-yl]methanone
SMILESCOc1ccccc1C(=O)C1CCCN(C(=O)c2cccc3nccnc23)C1
InChIInChI=1S/C22H21N3O3/c1-28-19-10-3-2-7-16(19)21(26)15-6-5-13-25(14-15)22(27)17-8-4-9-18-20(17)24-12-11-23-18/h2-4,7-12,15H,5-6,13-14H2,1H3
InChIKeyGJVFTFIVAOCOPR-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.37
Rot. Bonds4

About (2-methoxyphenyl)-[1-(quinoxaline-5-carbonyl)piperidin-3-yl]methanone

(2-methoxyphenyl)-[1-(quinoxaline-5-carbonyl)piperidin-3-yl]methanone (PubChem CID 45180688) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is (2-methoxyphenyl)-[1-(quinoxaline-5-carbonyl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name(2-methoxyphenyl)-[1-(quinoxaline-5-carbonyl)piperidin-3-yl]methanone
PubChem CID45180688
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name(2-methoxyphenyl)-[1-(quinoxaline-5-carbonyl)piperidin-3-yl]methanone
SMILESCOc1ccccc1C(=O)C1CCCN(C(=O)c2cccc3nccnc23)C1
InChIInChI=1S/C22H21N3O3/c1-28-19-10-3-2-7-16(19)21(26)15-6-5-13-25(14-15)22(27)17-8-4-9-18-20(17)24-12-11-23-18/h2-4,7-12,15H,5-6,13-14H2,1H3
InChIKeyGJVFTFIVAOCOPR-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

[(3S)-1-(2,3-dimethoxybenzoyl)piperidin-3-yl]-(2-methoxyphenyl)methanone
CID 95725717
1-(quinoxaline-5-carbonyl)piperidine-3-carboxylic acid
CID 104614062
[3-(aminomethyl)piperidin-1-yl]-quinoxalin-5-ylmethanone
CID 104614000
1-[(3S)-3-(2-methoxybenzoyl)piperidin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 95711262
[1-(2-methoxybenzoyl)piperidin-3-yl]-(4-methoxyphenyl)methanone
CID 110394690
(4-chlorophenyl)-[1-(2-methoxybenzoyl)piperidin-3-yl]methanone
CID 110289388
tert-butyl 3-(2-methoxybenzoyl)piperidine-1-carboxylate
CID 122200687
1-[(3S)-3-(2-methoxybenzoyl)piperidin-1-yl]-2-pyridin-2-ylsulfanylethanone
CID 42293000
(2-methoxyphenyl)-[1-(1-propan-2-ylpyrazole-4-carbonyl)piperidin-3-yl]methanone
CID 24817693
3-(benzimidazol-1-yl)-1-[3-(2-methoxybenzoyl)piperidin-1-yl]propan-1-one
CID 45227213
1-[3-(2-methoxybenzoyl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 45168811
(4-chloropiperidin-1-yl)-quinoxalin-5-ylmethanone
CID 113433257

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)-[1-(quinoxaline-5-carbonyl)piperidin-3-yl]methanone?
The IUPAC name of (2-methoxyphenyl)-[1-(quinoxaline-5-carbonyl)piperidin-3-yl]methanone (CID 45180688) is (2-methoxyphenyl)-[1-(quinoxaline-5-carbonyl)piperidin-3-yl]methanone.
What is the SMILES notation for (2-methoxyphenyl)-[1-(quinoxaline-5-carbonyl)piperidin-3-yl]methanone?
The canonical SMILES for (2-methoxyphenyl)-[1-(quinoxaline-5-carbonyl)piperidin-3-yl]methanone is COc1ccccc1C(=O)C1CCCN(C(=O)c2cccc3nccnc23)C1.
What is the InChIKey of (2-methoxyphenyl)-[1-(quinoxaline-5-carbonyl)piperidin-3-yl]methanone?
The InChIKey is GJVFTFIVAOCOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-28-19-10-3-2-7-16(19)21(26)15-6-5-13-25(14-15)22(27)17-8-4-9-18-20(17)24-12-11-23-18/h2-4,7-12,15H,5-6,13-14H2,1H3.
What are the key properties of (2-methoxyphenyl)-[1-(quinoxaline-5-carbonyl)piperidin-3-yl]methanone?
(2-methoxyphenyl)-[1-(quinoxaline-5-carbonyl)piperidin-3-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 (2-methoxyphenyl)-[1-(quinoxaline-5-carbonyl)piperidin-3-yl]methanone is sourced from PubChem (CID 45180688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).