1-[2-(4-aminopiperidin-1-yl)ethyl]-7-fluoro-5-oxido-1,5-naphthyridin-5-ium-2-one

C15H19FN4O2 — CID 68820161

IUPAC1-[2-(4-aminopiperidin-1-yl)ethyl]-7-fluoro-5-oxido-1,5-naphthyridin-5-ium-2-one
SMILESNC1CCN(CCn2c(=O)ccc3c2cc(F)c[n+]3[O-])CC1
InChIInChI=1S/C15H19FN4O2/c16-11-9-14-13(20(22)10-11)1-2-15(21)19(14)8-7-18-5-3-12(17)4-6-18/h1-2,9-10,12H,3-8,17H2
InChIKeyMNWDWXOGDUBNPZ-UHFFFAOYSA-N
MW306.34 g/mol
LogP0.20
Rot. Bonds3

About 1-[2-(4-aminopiperidin-1-yl)ethyl]-7-fluoro-5-oxido-1,5-naphthyridin-5-ium-2-one

1-[2-(4-aminopiperidin-1-yl)ethyl]-7-fluoro-5-oxido-1,5-naphthyridin-5-ium-2-one (PubChem CID 68820161) has the molecular formula C15H19FN4O2 and a molecular weight of 306.34 g/mol. Its IUPAC name is 1-[2-(4-aminopiperidin-1-yl)ethyl]-7-fluoro-5-oxido-1,5-naphthyridin-5-ium-2-one.

Molecular Properties

Compound Name1-[2-(4-aminopiperidin-1-yl)ethyl]-7-fluoro-5-oxido-1,5-naphthyridin-5-ium-2-one
PubChem CID68820161
Molecular FormulaC15H19FN4O2
Molecular Weight306.34 g/mol
Exact Mass306.15
IUPAC Name1-[2-(4-aminopiperidin-1-yl)ethyl]-7-fluoro-5-oxido-1,5-naphthyridin-5-ium-2-one
SMILESNC1CCN(CCn2c(=O)ccc3c2cc(F)c[n+]3[O-])CC1
InChIInChI=1S/C15H19FN4O2/c16-11-9-14-13(20(22)10-11)1-2-15(21)19(14)8-7-18-5-3-12(17)4-6-18/h1-2,9-10,12H,3-8,17H2
InChIKeyMNWDWXOGDUBNPZ-UHFFFAOYSA-N
XLogP0.20
TPSA78.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 1-[2-(4-aminopiperidin-1-yl)ethyl]-7-fluoro-5-oxido-1,5-naphthyridin-5-ium-2-one with MolForge

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Related Compounds

1-[2-(4-aminopiperidin-1-yl)ethyl]-7-fluoro-1,5-naphthyridin-2-one;hydrochloride
CID 68927113
1-[2-(4-aminopiperidin-1-yl)ethyl]-5-fluoroquinolin-2-one
CID 174545471
1-[2-(4-aminopiperidin-1-yl)ethyl]-7-methoxyquinolin-2-one
CID 59398289
1-[2-(4-amino-3-methoxypiperidin-1-yl)ethyl]-5,7-difluoroquinolin-2-one
CID 77232675
1-[2-(4-aminopiperidin-1-yl)ethyl]-7-fluoro-1,5-naphthyridin-2-one;1-[2-[4-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-ylmethylamino)piperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one
CID 159025223
1-[2-[(3S,4R)-4-amino-3-fluoropiperidin-1-yl]ethyl]quinolin-2-one
CID 141211537
1-[2-[(3S,5S)-3-(aminomethyl)-5-hydroxypiperidin-1-yl]ethyl]-7-fluoroquinolin-2-one
CID 68992138
1-[2-(4-aminopiperidin-1-yl)ethyl]-7,8-difluoroquinoxalin-2-one
CID 66775179
1-[2-(4-aminopiperidin-1-yl)ethyl]-7-methyl-1,5-naphthyridin-2-one;1-[2-[4-[(5-fluoro-6-methyl-3-pyridinyl)methylamino]piperidin-1-yl]ethyl]-7-methyl-1,5-naphthyridin-2-one;methane
CID 159261184
1-[2-(4-aminopiperidin-1-yl)ethyl]pyrrolidine-2,5-dione
CID 43556667
[1-[2-(5-cyano-7-fluoro-2-oxoquinolin-1-yl)ethyl]piperidin-4-yl]carbamic acid
CID 66844580
1-[2-(4-aminopiperidin-1-yl)ethyl]-7-methoxy-1,5-naphthyridin-2-one;7-methoxy-1-[2-[4-[(6-oxido-2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-6-ium-7-yl)methylamino]piperidin-1-yl]ethyl]-1,5-naphthyridin-2-one
CID 158471847

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-aminopiperidin-1-yl)ethyl]-7-fluoro-5-oxido-1,5-naphthyridin-5-ium-2-one?
The IUPAC name of 1-[2-(4-aminopiperidin-1-yl)ethyl]-7-fluoro-5-oxido-1,5-naphthyridin-5-ium-2-one (CID 68820161) is 1-[2-(4-aminopiperidin-1-yl)ethyl]-7-fluoro-5-oxido-1,5-naphthyridin-5-ium-2-one.
What is the SMILES notation for 1-[2-(4-aminopiperidin-1-yl)ethyl]-7-fluoro-5-oxido-1,5-naphthyridin-5-ium-2-one?
The canonical SMILES for 1-[2-(4-aminopiperidin-1-yl)ethyl]-7-fluoro-5-oxido-1,5-naphthyridin-5-ium-2-one is NC1CCN(CCn2c(=O)ccc3c2cc(F)c[n+]3[O-])CC1.
What is the InChIKey of 1-[2-(4-aminopiperidin-1-yl)ethyl]-7-fluoro-5-oxido-1,5-naphthyridin-5-ium-2-one?
The InChIKey is MNWDWXOGDUBNPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O2/c16-11-9-14-13(20(22)10-11)1-2-15(21)19(14)8-7-18-5-3-12(17)4-6-18/h1-2,9-10,12H,3-8,17H2.
What are the key properties of 1-[2-(4-aminopiperidin-1-yl)ethyl]-7-fluoro-5-oxido-1,5-naphthyridin-5-ium-2-one?
1-[2-(4-aminopiperidin-1-yl)ethyl]-7-fluoro-5-oxido-1,5-naphthyridin-5-ium-2-one has a molecular weight of 306.34 g/mol, XLogP of 0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-aminopiperidin-1-yl)ethyl]-7-fluoro-5-oxido-1,5-naphthyridin-5-ium-2-one is sourced from PubChem (CID 68820161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).