[(3R,4R)-1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]-3-hydroxypiperidin-4-yl]carbamic acid

C16H19FN4O4 — CID 68996430

IUPAC[(3R,4R)-1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]-3-hydroxypiperidin-4-yl]carbamic acid
SMILESO=C(O)N[C@@H]1CCN(CCn2c(=O)ccc3ncc(F)cc32)C[C@H]1O
InChIInChI=1S/C16H19FN4O4/c17-10-7-13-11(18-8-10)1-2-15(23)21(13)6-5-20-4-3-12(14(22)9-20)19-16(24)25/h1-2,7-8,12,14,19,22H,3-6,9H2,(H,24,25)/t12-,14-/m1/s1
InChIKeyWWWWUZKZJIRBJW-TZMCWYRMSA-N
MW350.35 g/mol
LogP0.24
Rot. Bonds4

About [(3R,4R)-1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]-3-hydroxypiperidin-4-yl]carbamic acid

[(3R,4R)-1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]-3-hydroxypiperidin-4-yl]carbamic acid (PubChem CID 68996430) has the molecular formula C16H19FN4O4 and a molecular weight of 350.35 g/mol. Its IUPAC name is [(3R,4R)-1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]-3-hydroxypiperidin-4-yl]carbamic acid.

Molecular Properties

Compound Name[(3R,4R)-1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]-3-hydroxypiperidin-4-yl]carbamic acid
PubChem CID68996430
Molecular FormulaC16H19FN4O4
Molecular Weight350.35 g/mol
Exact Mass350.14
IUPAC Name[(3R,4R)-1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]-3-hydroxypiperidin-4-yl]carbamic acid
SMILESO=C(O)N[C@@H]1CCN(CCn2c(=O)ccc3ncc(F)cc32)C[C@H]1O
InChIInChI=1S/C16H19FN4O4/c17-10-7-13-11(18-8-10)1-2-15(23)21(13)6-5-20-4-3-12(14(22)9-20)19-16(24)25/h1-2,7-8,12,14,19,22H,3-6,9H2,(H,24,25)/t12-,14-/m1/s1
InChIKeyWWWWUZKZJIRBJW-TZMCWYRMSA-N
XLogP0.24
TPSA107.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.35
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]-3-hydroxypiperidin-4-yl]carbamic acid?
The IUPAC name of [(3R,4R)-1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]-3-hydroxypiperidin-4-yl]carbamic acid (CID 68996430) is [(3R,4R)-1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]-3-hydroxypiperidin-4-yl]carbamic acid.
What is the SMILES notation for [(3R,4R)-1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]-3-hydroxypiperidin-4-yl]carbamic acid?
The canonical SMILES for [(3R,4R)-1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]-3-hydroxypiperidin-4-yl]carbamic acid is O=C(O)N[C@@H]1CCN(CCn2c(=O)ccc3ncc(F)cc32)C[C@H]1O.
What is the InChIKey of [(3R,4R)-1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]-3-hydroxypiperidin-4-yl]carbamic acid?
The InChIKey is WWWWUZKZJIRBJW-TZMCWYRMSA-N. The full InChI is InChI=1S/C16H19FN4O4/c17-10-7-13-11(18-8-10)1-2-15(23)21(13)6-5-20-4-3-12(14(22)9-20)19-16(24)25/h1-2,7-8,12,14,19,22H,3-6,9H2,(H,24,25)/t12-,14-/m1/s1.
What are the key properties of [(3R,4R)-1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]-3-hydroxypiperidin-4-yl]carbamic acid?
[(3R,4R)-1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]-3-hydroxypiperidin-4-yl]carbamic acid has a molecular weight of 350.35 g/mol, XLogP of 0.24, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]-3-hydroxypiperidin-4-yl]carbamic acid is sourced from PubChem (CID 68996430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).