[4-(3,5-dimethoxyanilino)piperidin-1-yl]-quinoxalin-2-ylmethanone

C22H24N4O3 — CID 99814672

IUPAC[4-(3,5-dimethoxyanilino)piperidin-1-yl]-quinoxalin-2-ylmethanone
SMILESCOc1cc(NC2CCN(C(=O)c3cnc4ccccc4n3)CC2)cc(OC)c1
InChIInChI=1S/C22H24N4O3/c1-28-17-11-16(12-18(13-17)29-2)24-15-7-9-26(10-8-15)22(27)21-14-23-19-5-3-4-6-20(19)25-21/h3-6,11-15,24H,7-10H2,1-2H3
InChIKeySJPXYKGFSMNUNA-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.36
Rot. Bonds5

About [4-(3,5-dimethoxyanilino)piperidin-1-yl]-quinoxalin-2-ylmethanone

[4-(3,5-dimethoxyanilino)piperidin-1-yl]-quinoxalin-2-ylmethanone (PubChem CID 99814672) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is [4-(3,5-dimethoxyanilino)piperidin-1-yl]-quinoxalin-2-ylmethanone.

Molecular Properties

Compound Name[4-(3,5-dimethoxyanilino)piperidin-1-yl]-quinoxalin-2-ylmethanone
PubChem CID99814672
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name[4-(3,5-dimethoxyanilino)piperidin-1-yl]-quinoxalin-2-ylmethanone
SMILESCOc1cc(NC2CCN(C(=O)c3cnc4ccccc4n3)CC2)cc(OC)c1
InChIInChI=1S/C22H24N4O3/c1-28-17-11-16(12-18(13-17)29-2)24-15-7-9-26(10-8-15)22(27)21-14-23-19-5-3-4-6-20(19)25-21/h3-6,11-15,24H,7-10H2,1-2H3
InChIKeySJPXYKGFSMNUNA-UHFFFAOYSA-N
XLogP3.36
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[(6-methoxypyrimidin-4-yl)amino]piperidin-1-yl]-quinoxalin-2-ylmethanone
CID 126887928
[4-(methylamino)piperidin-1-yl]-quinoxalin-2-ylmethanone;dihydrochloride
CID 119559840
6-[4-(3,5-dimethoxyanilino)piperidine-1-carbonyl]pyridine-3-carboxylic acid
CID 154771492
(4-methoxyphenyl)-[1-(quinoxaline-2-carbonyl)piperidin-4-yl]methanone
CID 33365935
[4-(4-methoxyphenyl)piperazin-1-yl]-quinoxalin-2-ylmethanone
CID 18192931
N-[1-(quinoxaline-2-carbonyl)piperidin-4-yl]propane-1-sulfonamide
CID 55655273
(3,5-dimethoxyphenyl)-(4-quinoxalin-2-yloxypiperidin-1-yl)methanone
CID 90559871
(4-aminopiperidin-1-yl)-quinoxalin-2-ylmethanone
CID 103629630
N-[1-(quinoxaline-2-carbonyl)piperidin-4-yl]benzenesulfonamide
CID 33332472
N-cyclohexyl-4-(quinoxaline-2-carbonyl)piperazine-1-carboxamide
CID 55595762
(4-pyrimidin-2-yloxypiperidin-1-yl)-quinoxalin-2-ylmethanone
CID 90558787
[6-[4-(3,5-dimethoxyanilino)piperidin-1-yl]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 133337448

Frequently Asked Questions

What is the IUPAC name of [4-(3,5-dimethoxyanilino)piperidin-1-yl]-quinoxalin-2-ylmethanone?
The IUPAC name of [4-(3,5-dimethoxyanilino)piperidin-1-yl]-quinoxalin-2-ylmethanone (CID 99814672) is [4-(3,5-dimethoxyanilino)piperidin-1-yl]-quinoxalin-2-ylmethanone.
What is the SMILES notation for [4-(3,5-dimethoxyanilino)piperidin-1-yl]-quinoxalin-2-ylmethanone?
The canonical SMILES for [4-(3,5-dimethoxyanilino)piperidin-1-yl]-quinoxalin-2-ylmethanone is COc1cc(NC2CCN(C(=O)c3cnc4ccccc4n3)CC2)cc(OC)c1.
What is the InChIKey of [4-(3,5-dimethoxyanilino)piperidin-1-yl]-quinoxalin-2-ylmethanone?
The InChIKey is SJPXYKGFSMNUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-28-17-11-16(12-18(13-17)29-2)24-15-7-9-26(10-8-15)22(27)21-14-23-19-5-3-4-6-20(19)25-21/h3-6,11-15,24H,7-10H2,1-2H3.
What are the key properties of [4-(3,5-dimethoxyanilino)piperidin-1-yl]-quinoxalin-2-ylmethanone?
[4-(3,5-dimethoxyanilino)piperidin-1-yl]-quinoxalin-2-ylmethanone has a molecular weight of 392.46 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,5-dimethoxyanilino)piperidin-1-yl]-quinoxalin-2-ylmethanone is sourced from PubChem (CID 99814672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).