1-[2-[(3R,4S)-4-amino-3-hydroxypiperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one

C15H19FN4O2 — CID 58579387

IUPAC1-[2-[(3R,4S)-4-amino-3-hydroxypiperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one
SMILESN[C@H]1CCN(CCn2c(=O)ccc3ncc(F)cc32)C[C@H]1O
InChIInChI=1S/C15H19FN4O2/c16-10-7-13-12(18-8-10)1-2-15(22)20(13)6-5-19-4-3-11(17)14(21)9-19/h1-2,7-8,11,14,21H,3-6,9,17H2/t11-,14+/m0/s1
InChIKeyHBGMVPOBCKFCIT-SMDDNHRTSA-N
MW306.34 g/mol
LogP-0.07
Rot. Bonds3

About 1-[2-[(3R,4S)-4-amino-3-hydroxypiperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one

1-[2-[(3R,4S)-4-amino-3-hydroxypiperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one (PubChem CID 58579387) has the molecular formula C15H19FN4O2 and a molecular weight of 306.34 g/mol. Its IUPAC name is 1-[2-[(3R,4S)-4-amino-3-hydroxypiperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one.

Molecular Properties

Compound Name1-[2-[(3R,4S)-4-amino-3-hydroxypiperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one
PubChem CID58579387
Molecular FormulaC15H19FN4O2
Molecular Weight306.34 g/mol
Exact Mass306.15
IUPAC Name1-[2-[(3R,4S)-4-amino-3-hydroxypiperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one
SMILESN[C@H]1CCN(CCn2c(=O)ccc3ncc(F)cc32)C[C@H]1O
InChIInChI=1S/C15H19FN4O2/c16-10-7-13-12(18-8-10)1-2-15(22)20(13)6-5-19-4-3-11(17)14(21)9-19/h1-2,7-8,11,14,21H,3-6,9,17H2/t11-,14+/m0/s1
InChIKeyHBGMVPOBCKFCIT-SMDDNHRTSA-N
XLogP-0.07
TPSA84.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[2-[(3R,4S)-4-amino-3-hydroxypiperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one with MolForge

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Related Compounds

1-[1-[2-(7-Fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]-3-phenylurea
CID 118712933
1-[1-[2-(7-Fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]-3-(4-fluorophenyl)urea
CID 118712934
US11591331, Example 57
CID 167844999
(3R*,4R*)-4-[4-(2-fluorophenyl)-1-piperazinyl]-1-[3-(2-pyridinyl)propanoyl]-3-piperidinol
CID 29001831
N-[1-(hydroxymethyl)propyl]-6-oxo-N-(pyridin-2-ylmethyl)-1,6-dihydropyridine-3-carboxamide
CID 46988545
N-[(2R)-1-hydroxybutan-2-yl]-6-oxo-N-(pyridin-2-ylmethyl)-1H-pyridine-3-carboxamide
CID 52386659
3-(2-Hydroxypropyl)-1-{1-[(pyridin-2-yl)methyl]piperidin-4-yl}urea
CID 75461319
(3R*,4R*)-4-[4-(2-fluorophenyl)-1-piperazinyl]-1-(2-pyridinylcarbonyl)-3-piperidinol
CID 28882477
N-[(2S)-2-hydroxypropyl]-N'-[6-(trifluoromethyl)pyridin-3-yl]ethanediamide
CID 49656411
2-(3-hydroxypiperidin-1-yl)-N-(3-pyridin-2-ylpropyl)acetamide
CID 77097384
1,5-anhydro-2,4-dideoxy-2-{[N-methyl-N-(pyridin-2-ylmethyl)glycyl]amino}-D-threo-pentitol
CID 91782191
4-[2-[4-[(3-fluoro-2-pyridinyl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
CID 155902869

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3R,4S)-4-amino-3-hydroxypiperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one?
The IUPAC name of 1-[2-[(3R,4S)-4-amino-3-hydroxypiperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one (CID 58579387) is 1-[2-[(3R,4S)-4-amino-3-hydroxypiperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one.
What is the SMILES notation for 1-[2-[(3R,4S)-4-amino-3-hydroxypiperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one?
The canonical SMILES for 1-[2-[(3R,4S)-4-amino-3-hydroxypiperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one is N[C@H]1CCN(CCn2c(=O)ccc3ncc(F)cc32)C[C@H]1O.
What is the InChIKey of 1-[2-[(3R,4S)-4-amino-3-hydroxypiperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one?
The InChIKey is HBGMVPOBCKFCIT-SMDDNHRTSA-N. The full InChI is InChI=1S/C15H19FN4O2/c16-10-7-13-12(18-8-10)1-2-15(22)20(13)6-5-19-4-3-11(17)14(21)9-19/h1-2,7-8,11,14,21H,3-6,9,17H2/t11-,14+/m0/s1.
What are the key properties of 1-[2-[(3R,4S)-4-amino-3-hydroxypiperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one?
1-[2-[(3R,4S)-4-amino-3-hydroxypiperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one has a molecular weight of 306.34 g/mol, XLogP of -0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3R,4S)-4-amino-3-hydroxypiperidin-1-yl]ethyl]-7-fluoro-1,5-naphthyridin-2-one is sourced from PubChem (CID 58579387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).