6-[2-[4-[(6-methoxy-1,5-naphthyridin-4-yl)oxymethyl]piperidin-1-yl]ethyl]-4H-1,4-benzothiazin-3-one

C25H28N4O3S — CID 10298523

IUPAC6-[2-[4-[(6-methoxy-1,5-naphthyridin-4-yl)oxymethyl]piperidin-1-yl]ethyl]-4H-1,4-benzothiazin-3-one
SMILESCOc1ccc2nccc(OCC3CCN(CCc4ccc5c(c4)NC(=O)CS5)CC3)c2n1
InChIInChI=1S/C25H28N4O3S/c1-31-24-5-3-19-25(28-24)21(6-10-26-19)32-15-18-8-12-29(13-9-18)11-7-17-2-4-22-20(14-17)27-23(30)16-33-22/h2-6,10,14,18H,7-9,11-13,15-16H2,1H3,(H,27,30)
InChIKeySLZYNWHZCXFTON-UHFFFAOYSA-N
MW464.59 g/mol
LogP4.02
Rot. Bonds7

About 6-[2-[4-[(6-methoxy-1,5-naphthyridin-4-yl)oxymethyl]piperidin-1-yl]ethyl]-4H-1,4-benzothiazin-3-one

6-[2-[4-[(6-methoxy-1,5-naphthyridin-4-yl)oxymethyl]piperidin-1-yl]ethyl]-4H-1,4-benzothiazin-3-one (PubChem CID 10298523) has the molecular formula C25H28N4O3S and a molecular weight of 464.59 g/mol. Its IUPAC name is 6-[2-[4-[(6-methoxy-1,5-naphthyridin-4-yl)oxymethyl]piperidin-1-yl]ethyl]-4H-1,4-benzothiazin-3-one.

Molecular Properties

Compound Name6-[2-[4-[(6-methoxy-1,5-naphthyridin-4-yl)oxymethyl]piperidin-1-yl]ethyl]-4H-1,4-benzothiazin-3-one
PubChem CID10298523
Molecular FormulaC25H28N4O3S
Molecular Weight464.59 g/mol
Exact Mass464.19
IUPAC Name6-[2-[4-[(6-methoxy-1,5-naphthyridin-4-yl)oxymethyl]piperidin-1-yl]ethyl]-4H-1,4-benzothiazin-3-one
SMILESCOc1ccc2nccc(OCC3CCN(CCc4ccc5c(c4)NC(=O)CS5)CC3)c2n1
InChIInChI=1S/C25H28N4O3S/c1-31-24-5-3-19-25(28-24)21(6-10-26-19)32-15-18-8-12-29(13-9-18)11-7-17-2-4-22-20(14-17)27-23(30)16-33-22/h2-6,10,14,18H,7-9,11-13,15-16H2,1H3,(H,27,30)
InChIKeySLZYNWHZCXFTON-UHFFFAOYSA-N
XLogP4.02
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.59
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[4-[(6-methoxy-1,5-naphthyridin-4-yl)oxymethyl]piperidin-1-yl]ethyl]-4H-1,4-benzothiazin-3-one?
The IUPAC name of 6-[2-[4-[(6-methoxy-1,5-naphthyridin-4-yl)oxymethyl]piperidin-1-yl]ethyl]-4H-1,4-benzothiazin-3-one (CID 10298523) is 6-[2-[4-[(6-methoxy-1,5-naphthyridin-4-yl)oxymethyl]piperidin-1-yl]ethyl]-4H-1,4-benzothiazin-3-one.
What is the SMILES notation for 6-[2-[4-[(6-methoxy-1,5-naphthyridin-4-yl)oxymethyl]piperidin-1-yl]ethyl]-4H-1,4-benzothiazin-3-one?
The canonical SMILES for 6-[2-[4-[(6-methoxy-1,5-naphthyridin-4-yl)oxymethyl]piperidin-1-yl]ethyl]-4H-1,4-benzothiazin-3-one is COc1ccc2nccc(OCC3CCN(CCc4ccc5c(c4)NC(=O)CS5)CC3)c2n1.
What is the InChIKey of 6-[2-[4-[(6-methoxy-1,5-naphthyridin-4-yl)oxymethyl]piperidin-1-yl]ethyl]-4H-1,4-benzothiazin-3-one?
The InChIKey is SLZYNWHZCXFTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3S/c1-31-24-5-3-19-25(28-24)21(6-10-26-19)32-15-18-8-12-29(13-9-18)11-7-17-2-4-22-20(14-17)27-23(30)16-33-22/h2-6,10,14,18H,7-9,11-13,15-16H2,1H3,(H,27,30).
What are the key properties of 6-[2-[4-[(6-methoxy-1,5-naphthyridin-4-yl)oxymethyl]piperidin-1-yl]ethyl]-4H-1,4-benzothiazin-3-one?
6-[2-[4-[(6-methoxy-1,5-naphthyridin-4-yl)oxymethyl]piperidin-1-yl]ethyl]-4H-1,4-benzothiazin-3-one has a molecular weight of 464.59 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[4-[(6-methoxy-1,5-naphthyridin-4-yl)oxymethyl]piperidin-1-yl]ethyl]-4H-1,4-benzothiazin-3-one is sourced from PubChem (CID 10298523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).