[4-(3-aminopropoxy)piperidin-1-yl]-(7-fluoroquinoxalin-5-yl)methanone;dihydrochloride

C17H23Cl2FN4O2 — CID 119662738

IUPAC[4-(3-aminopropoxy)piperidin-1-yl]-(7-fluoroquinoxalin-5-yl)methanone;dihydrochloride
SMILESCl.Cl.NCCCOC1CCN(C(=O)c2cc(F)cc3nccnc23)CC1
InChIInChI=1S/C17H21FN4O2.2ClH/c18-12-10-14(16-15(11-12)20-5-6-21-16)17(23)22-7-2-13(3-8-22)24-9-1-4-19;;/h5-6,10-11,13H,1-4,7-9,19H2;2*1H
InChIKeyWKOBIPSSXGAMQY-UHFFFAOYSA-N
MW405.30 g/mol
LogP2.58
Rot. Bonds5

About [4-(3-aminopropoxy)piperidin-1-yl]-(7-fluoroquinoxalin-5-yl)methanone;dihydrochloride

[4-(3-aminopropoxy)piperidin-1-yl]-(7-fluoroquinoxalin-5-yl)methanone;dihydrochloride (PubChem CID 119662738) has the molecular formula C17H23Cl2FN4O2 and a molecular weight of 405.30 g/mol. Its IUPAC name is [4-(3-aminopropoxy)piperidin-1-yl]-(7-fluoroquinoxalin-5-yl)methanone;dihydrochloride.

Molecular Properties

Compound Name[4-(3-aminopropoxy)piperidin-1-yl]-(7-fluoroquinoxalin-5-yl)methanone;dihydrochloride
PubChem CID119662738
Molecular FormulaC17H23Cl2FN4O2
Molecular Weight405.30 g/mol
Exact Mass404.12
IUPAC Name[4-(3-aminopropoxy)piperidin-1-yl]-(7-fluoroquinoxalin-5-yl)methanone;dihydrochloride
SMILESCl.Cl.NCCCOC1CCN(C(=O)c2cc(F)cc3nccnc23)CC1
InChIInChI=1S/C17H21FN4O2.2ClH/c18-12-10-14(16-15(11-12)20-5-6-21-16)17(23)22-7-2-13(3-8-22)24-9-1-4-19;;/h5-6,10-11,13H,1-4,7-9,19H2;2*1H
InChIKeyWKOBIPSSXGAMQY-UHFFFAOYSA-N
XLogP2.58
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.30
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[4-(3-aminopropoxy)piperidin-1-yl]-(5-fluoro-2-methoxyphenyl)methanone;hydrochloride
CID 119664484
(7-fluoroquinoxalin-5-yl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119561387
[4-(3-aminopropoxy)piperidin-1-yl]-[2-fluoro-3-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 86778691
[4-(3-aminopropoxy)piperidin-1-yl]-(2-fluoro-4-hydroxyphenyl)methanone
CID 107677184
(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
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(7-fluoroquinoxalin-5-yl)methanone;dihydrochloride
CID 120809688
[4-(3-aminopropoxy)piperidin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 115824313
[4-(3-aminopropoxy)piperidin-1-yl]-(2,4-dihydroxyphenyl)methanone
CID 79736339
[4-(3-aminopropoxy)piperidin-1-yl]-(2-bromo-5-chlorophenyl)methanone;hydrochloride
CID 119664069
[4-(3-aminopropoxy)piperidin-1-yl]-(3-fluoro-4-methylphenyl)methanone;hydrochloride
CID 119662913
[4-(3-aminopropoxy)piperidin-1-yl]-[4-(3,4-dimethylphenyl)-2-fluorophenyl]methanone
CID 119663065

Frequently Asked Questions

What is the IUPAC name of [4-(3-aminopropoxy)piperidin-1-yl]-(7-fluoroquinoxalin-5-yl)methanone;dihydrochloride?
The IUPAC name of [4-(3-aminopropoxy)piperidin-1-yl]-(7-fluoroquinoxalin-5-yl)methanone;dihydrochloride (CID 119662738) is [4-(3-aminopropoxy)piperidin-1-yl]-(7-fluoroquinoxalin-5-yl)methanone;dihydrochloride.
What is the SMILES notation for [4-(3-aminopropoxy)piperidin-1-yl]-(7-fluoroquinoxalin-5-yl)methanone;dihydrochloride?
The canonical SMILES for [4-(3-aminopropoxy)piperidin-1-yl]-(7-fluoroquinoxalin-5-yl)methanone;dihydrochloride is Cl.Cl.NCCCOC1CCN(C(=O)c2cc(F)cc3nccnc23)CC1.
What is the InChIKey of [4-(3-aminopropoxy)piperidin-1-yl]-(7-fluoroquinoxalin-5-yl)methanone;dihydrochloride?
The InChIKey is WKOBIPSSXGAMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O2.2ClH/c18-12-10-14(16-15(11-12)20-5-6-21-16)17(23)22-7-2-13(3-8-22)24-9-1-4-19;;/h5-6,10-11,13H,1-4,7-9,19H2;2*1H.
What are the key properties of [4-(3-aminopropoxy)piperidin-1-yl]-(7-fluoroquinoxalin-5-yl)methanone;dihydrochloride?
[4-(3-aminopropoxy)piperidin-1-yl]-(7-fluoroquinoxalin-5-yl)methanone;dihydrochloride has a molecular weight of 405.30 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-aminopropoxy)piperidin-1-yl]-(7-fluoroquinoxalin-5-yl)methanone;dihydrochloride is sourced from PubChem (CID 119662738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).