2-(2-methoxyphenyl)-1-[4-[(3-methylquinoxalin-2-yl)amino]piperidin-1-yl]ethanone

C23H26N4O2 — CID 133447444

IUPAC2-(2-methoxyphenyl)-1-[4-[(3-methylquinoxalin-2-yl)amino]piperidin-1-yl]ethanone
SMILESCOc1ccccc1CC(=O)N1CCC(Nc2nc3ccccc3nc2C)CC1
InChIInChI=1S/C23H26N4O2/c1-16-23(26-20-9-5-4-8-19(20)24-16)25-18-11-13-27(14-12-18)22(28)15-17-7-3-6-10-21(17)29-2/h3-10,18H,11-15H2,1-2H3,(H,25,26)
InChIKeyZTGXGJVPWFWBOJ-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.59
Rot. Bonds5

About 2-(2-methoxyphenyl)-1-[4-[(3-methylquinoxalin-2-yl)amino]piperidin-1-yl]ethanone

2-(2-methoxyphenyl)-1-[4-[(3-methylquinoxalin-2-yl)amino]piperidin-1-yl]ethanone (PubChem CID 133447444) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-1-[4-[(3-methylquinoxalin-2-yl)amino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-1-[4-[(3-methylquinoxalin-2-yl)amino]piperidin-1-yl]ethanone
PubChem CID133447444
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name2-(2-methoxyphenyl)-1-[4-[(3-methylquinoxalin-2-yl)amino]piperidin-1-yl]ethanone
SMILESCOc1ccccc1CC(=O)N1CCC(Nc2nc3ccccc3nc2C)CC1
InChIInChI=1S/C23H26N4O2/c1-16-23(26-20-9-5-4-8-19(20)24-16)25-18-11-13-27(14-12-18)22(28)15-17-7-3-6-10-21(17)29-2/h3-10,18H,11-15H2,1-2H3,(H,25,26)
InChIKeyZTGXGJVPWFWBOJ-UHFFFAOYSA-N
XLogP3.59
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2-methoxyphenyl)-1-[4-[(3-methylquinoxalin-2-yl)amino]piperidin-1-yl]ethanone with MolForge

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Related Compounds

N-cyclopropyl-2-[4-[2-(2-methoxyphenyl)acetyl]piperazin-1-yl]propanamide
CID 51329083
(2S)-2-amino-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]propanamide
CID 119312121
1-[4-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]piperidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 133447400
1-(4-bromopiperidin-1-yl)-2-(2-methoxyphenyl)ethanone
CID 80661576
N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]butanamide
CID 52605797
N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-4-phenylbenzamide
CID 52820081
2-(2-methoxyphenyl)-1-[4-(2-methyl-6-nitroanilino)piperidin-1-yl]ethanone
CID 133447440
2-(2-methoxyphenyl)-1-[4-[(5-phenyl-1,3-thiazol-2-yl)amino]piperidin-1-yl]ethanone
CID 133447415
(2S)-2-amino-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-3-methylbutanamide;hydrochloride
CID 119312142
2-amino-N-[1-[2-(2-methoxyphenyl)acetyl]piperidin-4-yl]-2-(4-methylphenyl)acetamide
CID 120668110
ethyl 4-[2-(2-methoxyphenyl)acetyl]piperazine-1-carboxylate
CID 694651
2-(2-methoxyphenyl)-1-[4-(6-methylpyrazin-2-yl)piperidin-1-yl]ethanone
CID 124941123

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-1-[4-[(3-methylquinoxalin-2-yl)amino]piperidin-1-yl]ethanone?
The IUPAC name of 2-(2-methoxyphenyl)-1-[4-[(3-methylquinoxalin-2-yl)amino]piperidin-1-yl]ethanone (CID 133447444) is 2-(2-methoxyphenyl)-1-[4-[(3-methylquinoxalin-2-yl)amino]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-methoxyphenyl)-1-[4-[(3-methylquinoxalin-2-yl)amino]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2-methoxyphenyl)-1-[4-[(3-methylquinoxalin-2-yl)amino]piperidin-1-yl]ethanone is COc1ccccc1CC(=O)N1CCC(Nc2nc3ccccc3nc2C)CC1.
What is the InChIKey of 2-(2-methoxyphenyl)-1-[4-[(3-methylquinoxalin-2-yl)amino]piperidin-1-yl]ethanone?
The InChIKey is ZTGXGJVPWFWBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-16-23(26-20-9-5-4-8-19(20)24-16)25-18-11-13-27(14-12-18)22(28)15-17-7-3-6-10-21(17)29-2/h3-10,18H,11-15H2,1-2H3,(H,25,26).
What are the key properties of 2-(2-methoxyphenyl)-1-[4-[(3-methylquinoxalin-2-yl)amino]piperidin-1-yl]ethanone?
2-(2-methoxyphenyl)-1-[4-[(3-methylquinoxalin-2-yl)amino]piperidin-1-yl]ethanone has a molecular weight of 390.49 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-1-[4-[(3-methylquinoxalin-2-yl)amino]piperidin-1-yl]ethanone is sourced from PubChem (CID 133447444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).