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

C26H30N4O3S — CID 10184214

IUPAC6-[2-[4-hydroxy-4-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-1-yl]ethyl]-4H-1,4-benzothiazin-3-one
SMILESCOc1ccc2nccc(CCC3(O)CCN(CCc4ccc5c(c4)NC(=O)CS5)CC3)c2n1
InChIInChI=1S/C26H30N4O3S/c1-33-24-5-3-20-25(29-24)19(7-12-27-20)6-9-26(32)10-14-30(15-11-26)13-8-18-2-4-22-21(16-18)28-23(31)17-34-22/h2-5,7,12,16,32H,6,8-11,13-15,17H2,1H3,(H,28,31)
InChIKeyDYJVGEYZDNXUTF-UHFFFAOYSA-N
MW478.62 g/mol
LogP3.68
Rot. Bonds7

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

6-[2-[4-hydroxy-4-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-1-yl]ethyl]-4H-1,4-benzothiazin-3-one (PubChem CID 10184214) has the molecular formula C26H30N4O3S and a molecular weight of 478.62 g/mol. Its IUPAC name is 6-[2-[4-hydroxy-4-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-1-yl]ethyl]-4H-1,4-benzothiazin-3-one.

Molecular Properties

Compound Name6-[2-[4-hydroxy-4-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-1-yl]ethyl]-4H-1,4-benzothiazin-3-one
PubChem CID10184214
Molecular FormulaC26H30N4O3S
Molecular Weight478.62 g/mol
Exact Mass478.20
IUPAC Name6-[2-[4-hydroxy-4-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-1-yl]ethyl]-4H-1,4-benzothiazin-3-one
SMILESCOc1ccc2nccc(CCC3(O)CCN(CCc4ccc5c(c4)NC(=O)CS5)CC3)c2n1
InChIInChI=1S/C26H30N4O3S/c1-33-24-5-3-20-25(29-24)19(7-12-27-20)6-9-26(32)10-14-30(15-11-26)13-8-18-2-4-22-21(16-18)28-23(31)17-34-22/h2-5,7,12,16,32H,6,8-11,13-15,17H2,1H3,(H,28,31)
InChIKeyDYJVGEYZDNXUTF-UHFFFAOYSA-N
XLogP3.68
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.62
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[4-hydroxy-4-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-1-yl]ethyl]-4H-1,4-benzothiazin-3-one?
The IUPAC name of 6-[2-[4-hydroxy-4-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-1-yl]ethyl]-4H-1,4-benzothiazin-3-one (CID 10184214) is 6-[2-[4-hydroxy-4-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-1-yl]ethyl]-4H-1,4-benzothiazin-3-one.
What is the SMILES notation for 6-[2-[4-hydroxy-4-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-1-yl]ethyl]-4H-1,4-benzothiazin-3-one?
The canonical SMILES for 6-[2-[4-hydroxy-4-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-1-yl]ethyl]-4H-1,4-benzothiazin-3-one is COc1ccc2nccc(CCC3(O)CCN(CCc4ccc5c(c4)NC(=O)CS5)CC3)c2n1.
What is the InChIKey of 6-[2-[4-hydroxy-4-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-1-yl]ethyl]-4H-1,4-benzothiazin-3-one?
The InChIKey is DYJVGEYZDNXUTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O3S/c1-33-24-5-3-20-25(29-24)19(7-12-27-20)6-9-26(32)10-14-30(15-11-26)13-8-18-2-4-22-21(16-18)28-23(31)17-34-22/h2-5,7,12,16,32H,6,8-11,13-15,17H2,1H3,(H,28,31).
What are the key properties of 6-[2-[4-hydroxy-4-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-1-yl]ethyl]-4H-1,4-benzothiazin-3-one?
6-[2-[4-hydroxy-4-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-1-yl]ethyl]-4H-1,4-benzothiazin-3-one has a molecular weight of 478.62 g/mol, XLogP of 3.68, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[4-hydroxy-4-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-1-yl]ethyl]-4H-1,4-benzothiazin-3-one is sourced from PubChem (CID 10184214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).