[4-[(6,7-difluoroquinoxalin-2-yl)amino]piperidin-1-yl]-(4-ethoxyphenyl)methanone

C22H22F2N4O2 — CID 167747728

IUPAC[4-[(6,7-difluoroquinoxalin-2-yl)amino]piperidin-1-yl]-(4-ethoxyphenyl)methanone
SMILESCCOc1ccc(C(=O)N2CCC(Nc3cnc4cc(F)c(F)cc4n3)CC2)cc1
InChIInChI=1S/C22H22F2N4O2/c1-2-30-16-5-3-14(4-6-16)22(29)28-9-7-15(8-10-28)26-21-13-25-19-11-17(23)18(24)12-20(19)27-21/h3-6,11-13,15H,2,7-10H2,1H3,(H,26,27)
InChIKeyWNZNCAAOTAMOFE-UHFFFAOYSA-N
MW412.44 g/mol
LogP4.02
Rot. Bonds5

About [4-[(6,7-difluoroquinoxalin-2-yl)amino]piperidin-1-yl]-(4-ethoxyphenyl)methanone

[4-[(6,7-difluoroquinoxalin-2-yl)amino]piperidin-1-yl]-(4-ethoxyphenyl)methanone (PubChem CID 167747728) has the molecular formula C22H22F2N4O2 and a molecular weight of 412.44 g/mol. Its IUPAC name is [4-[(6,7-difluoroquinoxalin-2-yl)amino]piperidin-1-yl]-(4-ethoxyphenyl)methanone.

Molecular Properties

Compound Name[4-[(6,7-difluoroquinoxalin-2-yl)amino]piperidin-1-yl]-(4-ethoxyphenyl)methanone
PubChem CID167747728
Molecular FormulaC22H22F2N4O2
Molecular Weight412.44 g/mol
Exact Mass412.17
IUPAC Name[4-[(6,7-difluoroquinoxalin-2-yl)amino]piperidin-1-yl]-(4-ethoxyphenyl)methanone
SMILESCCOc1ccc(C(=O)N2CCC(Nc3cnc4cc(F)c(F)cc4n3)CC2)cc1
InChIInChI=1S/C22H22F2N4O2/c1-2-30-16-5-3-14(4-6-16)22(29)28-9-7-15(8-10-28)26-21-13-25-19-11-17(23)18(24)12-20(19)27-21/h3-6,11-13,15H,2,7-10H2,1H3,(H,26,27)
InChIKeyWNZNCAAOTAMOFE-UHFFFAOYSA-N
XLogP4.02
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.44
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-[(6,7-difluoroquinoxalin-2-yl)amino]piperidin-1-yl]-(4-ethoxyphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-ethoxyphenyl)-[4-[[6-(trifluoromethyl)pyridazin-3-yl]amino]piperidin-1-yl]methanone
CID 133432626
[4-[(6,7-difluoroquinoxalin-2-yl)amino]piperidin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 167869993
aziridin-1-yl-(4-ethoxyphenyl)methanone
CID 121216936
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-2,3,4-trifluorobenzamide
CID 108556775
[4-(cyclopropylmethylamino)piperidin-1-yl]-(4-ethoxyphenyl)methanone;hydrochloride
CID 119624568
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-5-fluoro-1-benzothiophene-2-carboxamide
CID 112804142
ethyl 4-[[6-(cyclopropylamino)-2-methylpyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112867497
[3-[(6,7-difluoroquinoxalin-2-yl)amino]pyrrolidin-1-yl]-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]methanone
CID 74829936
1-[4-(4-ethoxybenzoyl)piperazin-1-yl]prop-2-en-1-one
CID 172888753
ethyl 4-[(6-chloro-2-methylpyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 62482125
4-ethoxy-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzamide
CID 108551846
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]acetamide
CID 112804141

Frequently Asked Questions

What is the IUPAC name of [4-[(6,7-difluoroquinoxalin-2-yl)amino]piperidin-1-yl]-(4-ethoxyphenyl)methanone?
The IUPAC name of [4-[(6,7-difluoroquinoxalin-2-yl)amino]piperidin-1-yl]-(4-ethoxyphenyl)methanone (CID 167747728) is [4-[(6,7-difluoroquinoxalin-2-yl)amino]piperidin-1-yl]-(4-ethoxyphenyl)methanone.
What is the SMILES notation for [4-[(6,7-difluoroquinoxalin-2-yl)amino]piperidin-1-yl]-(4-ethoxyphenyl)methanone?
The canonical SMILES for [4-[(6,7-difluoroquinoxalin-2-yl)amino]piperidin-1-yl]-(4-ethoxyphenyl)methanone is CCOc1ccc(C(=O)N2CCC(Nc3cnc4cc(F)c(F)cc4n3)CC2)cc1.
What is the InChIKey of [4-[(6,7-difluoroquinoxalin-2-yl)amino]piperidin-1-yl]-(4-ethoxyphenyl)methanone?
The InChIKey is WNZNCAAOTAMOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N4O2/c1-2-30-16-5-3-14(4-6-16)22(29)28-9-7-15(8-10-28)26-21-13-25-19-11-17(23)18(24)12-20(19)27-21/h3-6,11-13,15H,2,7-10H2,1H3,(H,26,27).
What are the key properties of [4-[(6,7-difluoroquinoxalin-2-yl)amino]piperidin-1-yl]-(4-ethoxyphenyl)methanone?
[4-[(6,7-difluoroquinoxalin-2-yl)amino]piperidin-1-yl]-(4-ethoxyphenyl)methanone has a molecular weight of 412.44 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(6,7-difluoroquinoxalin-2-yl)amino]piperidin-1-yl]-(4-ethoxyphenyl)methanone is sourced from PubChem (CID 167747728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).