[4-(diethylaminomethyl)piperidin-1-yl]-(7-fluoro-2,3-dimethylquinoxalin-5-yl)methanone

C21H29FN4O — CID 51124020

IUPAC[4-(diethylaminomethyl)piperidin-1-yl]-(7-fluoro-2,3-dimethylquinoxalin-5-yl)methanone
SMILESCCN(CC)CC1CCN(C(=O)c2cc(F)cc3nc(C)c(C)nc23)CC1
InChIInChI=1S/C21H29FN4O/c1-5-25(6-2)13-16-7-9-26(10-8-16)21(27)18-11-17(22)12-19-20(18)24-15(4)14(3)23-19/h11-12,16H,5-10,13H2,1-4H3
InChIKeyOLSDQGUWLHAGCJ-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.58
Rot. Bonds5

About [4-(diethylaminomethyl)piperidin-1-yl]-(7-fluoro-2,3-dimethylquinoxalin-5-yl)methanone

[4-(diethylaminomethyl)piperidin-1-yl]-(7-fluoro-2,3-dimethylquinoxalin-5-yl)methanone (PubChem CID 51124020) has the molecular formula C21H29FN4O and a molecular weight of 372.49 g/mol. Its IUPAC name is [4-(diethylaminomethyl)piperidin-1-yl]-(7-fluoro-2,3-dimethylquinoxalin-5-yl)methanone.

Molecular Properties

Compound Name[4-(diethylaminomethyl)piperidin-1-yl]-(7-fluoro-2,3-dimethylquinoxalin-5-yl)methanone
PubChem CID51124020
Molecular FormulaC21H29FN4O
Molecular Weight372.49 g/mol
Exact Mass372.23
IUPAC Name[4-(diethylaminomethyl)piperidin-1-yl]-(7-fluoro-2,3-dimethylquinoxalin-5-yl)methanone
SMILESCCN(CC)CC1CCN(C(=O)c2cc(F)cc3nc(C)c(C)nc23)CC1
InChIInChI=1S/C21H29FN4O/c1-5-25(6-2)13-16-7-9-26(10-8-16)21(27)18-11-17(22)12-19-20(18)24-15(4)14(3)23-19/h11-12,16H,5-10,13H2,1-4H3
InChIKeyOLSDQGUWLHAGCJ-UHFFFAOYSA-N
XLogP3.58
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-(diethylaminomethyl)piperidin-1-yl]-(7-fluoro-2,3-dimethylquinoxalin-5-yl)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

(7-fluoro-2,3-dimethylquinoxalin-5-yl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119540009
[4-(4-chloropyrazol-1-yl)piperidin-1-yl]-(7-fluoro-2,3-dimethylquinoxalin-5-yl)methanone
CID 146081322
(7-fluoro-2,3-dimethylquinoxalin-5-yl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 55822160
ethyl N-[1-(7-fluoro-2,3-dimethylquinoxaline-5-carbonyl)piperidin-3-yl]carbamate
CID 51120310
(7-fluoro-2,3-dimethylquinoxalin-5-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 55824865
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(7-fluoro-2,3-dimethylquinoxalin-5-yl)methanone;dihydrochloride
CID 120808856
(2,4-dimethoxyphenyl)-[4-(7-fluoro-2,3-dimethylquinoxaline-5-carbonyl)piperazin-1-yl]methanone
CID 55903948
1-[4-(7-fluoro-2,3-dimethylquinoxaline-5-carbonyl)piperazin-1-yl]-2-pyridin-2-ylethanone
CID 56521793
(5-amino-2-methylphenyl)-[4-(diethylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
CID 120642745
2-(4-chlorophenoxy)-1-[4-(7-fluoro-2,3-dimethylquinoxaline-5-carbonyl)piperazin-1-yl]ethanone
CID 55887011
1-[[1-(7-fluoro-2,3-dimethylquinoxaline-5-carbonyl)piperidin-3-yl]methyl]-3-(3-fluorophenyl)urea
CID 56504447
(4-amino-5-methylthiophen-2-yl)-[4-(diethylaminomethyl)piperidin-1-yl]methanone
CID 61115940

Frequently Asked Questions

What is the IUPAC name of [4-(diethylaminomethyl)piperidin-1-yl]-(7-fluoro-2,3-dimethylquinoxalin-5-yl)methanone?
The IUPAC name of [4-(diethylaminomethyl)piperidin-1-yl]-(7-fluoro-2,3-dimethylquinoxalin-5-yl)methanone (CID 51124020) is [4-(diethylaminomethyl)piperidin-1-yl]-(7-fluoro-2,3-dimethylquinoxalin-5-yl)methanone.
What is the SMILES notation for [4-(diethylaminomethyl)piperidin-1-yl]-(7-fluoro-2,3-dimethylquinoxalin-5-yl)methanone?
The canonical SMILES for [4-(diethylaminomethyl)piperidin-1-yl]-(7-fluoro-2,3-dimethylquinoxalin-5-yl)methanone is CCN(CC)CC1CCN(C(=O)c2cc(F)cc3nc(C)c(C)nc23)CC1.
What is the InChIKey of [4-(diethylaminomethyl)piperidin-1-yl]-(7-fluoro-2,3-dimethylquinoxalin-5-yl)methanone?
The InChIKey is OLSDQGUWLHAGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29FN4O/c1-5-25(6-2)13-16-7-9-26(10-8-16)21(27)18-11-17(22)12-19-20(18)24-15(4)14(3)23-19/h11-12,16H,5-10,13H2,1-4H3.
What are the key properties of [4-(diethylaminomethyl)piperidin-1-yl]-(7-fluoro-2,3-dimethylquinoxalin-5-yl)methanone?
[4-(diethylaminomethyl)piperidin-1-yl]-(7-fluoro-2,3-dimethylquinoxalin-5-yl)methanone has a molecular weight of 372.49 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(diethylaminomethyl)piperidin-1-yl]-(7-fluoro-2,3-dimethylquinoxalin-5-yl)methanone is sourced from PubChem (CID 51124020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).