(7-fluoroquinoxalin-5-yl)-[4-(methylamino)piperidin-1-yl]methanone

C15H17FN4O — CID 119561387

IUPAC(7-fluoroquinoxalin-5-yl)-[4-(methylamino)piperidin-1-yl]methanone
SMILESCNC1CCN(C(=O)c2cc(F)cc3nccnc23)CC1
InChIInChI=1S/C15H17FN4O/c1-17-11-2-6-20(7-3-11)15(21)12-8-10(16)9-13-14(12)19-5-4-18-13/h4-5,8-9,11,17H,2-3,6-7H2,1H3
InChIKeyRMTLOZRYKMROQQ-UHFFFAOYSA-N
MW288.33 g/mol
LogP1.59
Rot. Bonds2

About (7-fluoroquinoxalin-5-yl)-[4-(methylamino)piperidin-1-yl]methanone

(7-fluoroquinoxalin-5-yl)-[4-(methylamino)piperidin-1-yl]methanone (PubChem CID 119561387) has the molecular formula C15H17FN4O and a molecular weight of 288.33 g/mol. Its IUPAC name is (7-fluoroquinoxalin-5-yl)-[4-(methylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(7-fluoroquinoxalin-5-yl)-[4-(methylamino)piperidin-1-yl]methanone
PubChem CID119561387
Molecular FormulaC15H17FN4O
Molecular Weight288.33 g/mol
Exact Mass288.14
IUPAC Name(7-fluoroquinoxalin-5-yl)-[4-(methylamino)piperidin-1-yl]methanone
SMILESCNC1CCN(C(=O)c2cc(F)cc3nccnc23)CC1
InChIInChI=1S/C15H17FN4O/c1-17-11-2-6-20(7-3-11)15(21)12-8-10(16)9-13-14(12)19-5-4-18-13/h4-5,8-9,11,17H,2-3,6-7H2,1H3
InChIKeyRMTLOZRYKMROQQ-UHFFFAOYSA-N
XLogP1.59
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-amino-3,3-dimethylpiperidin-1-yl)-(7-fluoroquinoxalin-5-yl)methanone;dihydrochloride
CID 120819704
(7-fluoroquinoxalin-5-yl)-[4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 139006327
(7-fluoroquinoxalin-5-yl)-(3-methylpiperazin-1-yl)methanone;dihydrochloride
CID 119578005
[4-(3-aminopropoxy)piperidin-1-yl]-(7-fluoroquinoxalin-5-yl)methanone;dihydrochloride
CID 119662738
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(7-fluoroquinoxalin-5-yl)methanone;dihydrochloride
CID 120809688
[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-(7-fluoroquinoxalin-5-yl)methanone
CID 112845805
7-fluoro-N-[(3S)-1-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]quinoxaline-5-carboxamide
CID 124885580
[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-(7-fluoroquinoxalin-5-yl)methanone
CID 112844504
(7-fluoroquinoxalin-5-yl)-[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 128978638
[4-(methylamino)piperidin-1-yl]-quinolin-8-ylmethanone;dihydrochloride
CID 119562051
[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-(7-fluoroquinoxalin-5-yl)methanone
CID 112844489
(3-fluoro-5-methylphenyl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119559740

Frequently Asked Questions

What is the IUPAC name of (7-fluoroquinoxalin-5-yl)-[4-(methylamino)piperidin-1-yl]methanone?
The IUPAC name of (7-fluoroquinoxalin-5-yl)-[4-(methylamino)piperidin-1-yl]methanone (CID 119561387) is (7-fluoroquinoxalin-5-yl)-[4-(methylamino)piperidin-1-yl]methanone.
What is the SMILES notation for (7-fluoroquinoxalin-5-yl)-[4-(methylamino)piperidin-1-yl]methanone?
The canonical SMILES for (7-fluoroquinoxalin-5-yl)-[4-(methylamino)piperidin-1-yl]methanone is CNC1CCN(C(=O)c2cc(F)cc3nccnc23)CC1.
What is the InChIKey of (7-fluoroquinoxalin-5-yl)-[4-(methylamino)piperidin-1-yl]methanone?
The InChIKey is RMTLOZRYKMROQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O/c1-17-11-2-6-20(7-3-11)15(21)12-8-10(16)9-13-14(12)19-5-4-18-13/h4-5,8-9,11,17H,2-3,6-7H2,1H3.
What are the key properties of (7-fluoroquinoxalin-5-yl)-[4-(methylamino)piperidin-1-yl]methanone?
(7-fluoroquinoxalin-5-yl)-[4-(methylamino)piperidin-1-yl]methanone has a molecular weight of 288.33 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-fluoroquinoxalin-5-yl)-[4-(methylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 119561387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).