(1-acetylpiperidin-4-yl) 3-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxylate

C23H22FN3O4 — CID 10093767

IUPAC(1-acetylpiperidin-4-yl) 3-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxylate
SMILESCC(=O)N1CCC(OC(=O)c2ncc3cc(Cc4ccc(F)cc4)cnc3c2O)CC1
InChIInChI=1S/C23H22FN3O4/c1-14(28)27-8-6-19(7-9-27)31-23(30)21-22(29)20-17(13-26-21)11-16(12-25-20)10-15-2-4-18(24)5-3-15/h2-5,11-13,19,29H,6-10H2,1H3
InChIKeyIARUWDSBBZNTCA-UHFFFAOYSA-N
MW423.44 g/mol
LogP3.23
Rot. Bonds4

About (1-acetylpiperidin-4-yl) 3-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxylate

(1-acetylpiperidin-4-yl) 3-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxylate (PubChem CID 10093767) has the molecular formula C23H22FN3O4 and a molecular weight of 423.44 g/mol. Its IUPAC name is (1-acetylpiperidin-4-yl) 3-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxylate.

Molecular Properties

Compound Name(1-acetylpiperidin-4-yl) 3-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxylate
PubChem CID10093767
Molecular FormulaC23H22FN3O4
Molecular Weight423.44 g/mol
Exact Mass423.16
IUPAC Name(1-acetylpiperidin-4-yl) 3-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxylate
SMILESCC(=O)N1CCC(OC(=O)c2ncc3cc(Cc4ccc(F)cc4)cnc3c2O)CC1
InChIInChI=1S/C23H22FN3O4/c1-14(28)27-8-6-19(7-9-27)31-23(30)21-22(29)20-17(13-26-21)11-16(12-25-20)10-15-2-4-18(24)5-3-15/h2-5,11-13,19,29H,6-10H2,1H3
InChIKeyIARUWDSBBZNTCA-UHFFFAOYSA-N
XLogP3.23
TPSA92.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.44
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1-acetylpiperidin-4-yl) 3-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxylate?
The IUPAC name of (1-acetylpiperidin-4-yl) 3-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxylate (CID 10093767) is (1-acetylpiperidin-4-yl) 3-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxylate.
What is the SMILES notation for (1-acetylpiperidin-4-yl) 3-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxylate?
The canonical SMILES for (1-acetylpiperidin-4-yl) 3-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxylate is CC(=O)N1CCC(OC(=O)c2ncc3cc(Cc4ccc(F)cc4)cnc3c2O)CC1.
What is the InChIKey of (1-acetylpiperidin-4-yl) 3-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxylate?
The InChIKey is IARUWDSBBZNTCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O4/c1-14(28)27-8-6-19(7-9-27)31-23(30)21-22(29)20-17(13-26-21)11-16(12-25-20)10-15-2-4-18(24)5-3-15/h2-5,11-13,19,29H,6-10H2,1H3.
What are the key properties of (1-acetylpiperidin-4-yl) 3-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxylate?
(1-acetylpiperidin-4-yl) 3-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxylate has a molecular weight of 423.44 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-acetylpiperidin-4-yl) 3-[(4-fluorophenyl)methyl]-8-hydroxy-1,6-naphthyridine-7-carboxylate is sourced from PubChem (CID 10093767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).