[1-[2-[(6-methoxy-4-phenylmethoxy-1,5-naphthyridin-3-yl)oxy]ethyl]piperidin-4-yl]carbamic acid

C24H28N4O5 — CID 141275453

IUPAC[1-[2-[(6-methoxy-4-phenylmethoxy-1,5-naphthyridin-3-yl)oxy]ethyl]piperidin-4-yl]carbamic acid
SMILESCOc1ccc2ncc(OCCN3CCC(NC(=O)O)CC3)c(OCc3ccccc3)c2n1
InChIInChI=1S/C24H28N4O5/c1-31-21-8-7-19-22(27-21)23(33-16-17-5-3-2-4-6-17)20(15-25-19)32-14-13-28-11-9-18(10-12-28)26-24(29)30/h2-8,15,18,26H,9-14,16H2,1H3,(H,29,30)
InChIKeyOIYISQPPEJDGBR-UHFFFAOYSA-N
MW452.51 g/mol
LogP3.33
Rot. Bonds9

About [1-[2-[(6-methoxy-4-phenylmethoxy-1,5-naphthyridin-3-yl)oxy]ethyl]piperidin-4-yl]carbamic acid

[1-[2-[(6-methoxy-4-phenylmethoxy-1,5-naphthyridin-3-yl)oxy]ethyl]piperidin-4-yl]carbamic acid (PubChem CID 141275453) has the molecular formula C24H28N4O5 and a molecular weight of 452.51 g/mol. Its IUPAC name is [1-[2-[(6-methoxy-4-phenylmethoxy-1,5-naphthyridin-3-yl)oxy]ethyl]piperidin-4-yl]carbamic acid.

Molecular Properties

Compound Name[1-[2-[(6-methoxy-4-phenylmethoxy-1,5-naphthyridin-3-yl)oxy]ethyl]piperidin-4-yl]carbamic acid
PubChem CID141275453
Molecular FormulaC24H28N4O5
Molecular Weight452.51 g/mol
Exact Mass452.21
IUPAC Name[1-[2-[(6-methoxy-4-phenylmethoxy-1,5-naphthyridin-3-yl)oxy]ethyl]piperidin-4-yl]carbamic acid
SMILESCOc1ccc2ncc(OCCN3CCC(NC(=O)O)CC3)c(OCc3ccccc3)c2n1
InChIInChI=1S/C24H28N4O5/c1-31-21-8-7-19-22(27-21)23(33-16-17-5-3-2-4-6-17)20(15-25-19)32-14-13-28-11-9-18(10-12-28)26-24(29)30/h2-8,15,18,26H,9-14,16H2,1H3,(H,29,30)
InChIKeyOIYISQPPEJDGBR-UHFFFAOYSA-N
XLogP3.33
TPSA106.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.51
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-[2-[(6-methoxy-4-phenylmethoxy-1,5-naphthyridin-3-yl)oxy]ethyl]piperidin-4-yl]carbamic acid?
The IUPAC name of [1-[2-[(6-methoxy-4-phenylmethoxy-1,5-naphthyridin-3-yl)oxy]ethyl]piperidin-4-yl]carbamic acid (CID 141275453) is [1-[2-[(6-methoxy-4-phenylmethoxy-1,5-naphthyridin-3-yl)oxy]ethyl]piperidin-4-yl]carbamic acid.
What is the SMILES notation for [1-[2-[(6-methoxy-4-phenylmethoxy-1,5-naphthyridin-3-yl)oxy]ethyl]piperidin-4-yl]carbamic acid?
The canonical SMILES for [1-[2-[(6-methoxy-4-phenylmethoxy-1,5-naphthyridin-3-yl)oxy]ethyl]piperidin-4-yl]carbamic acid is COc1ccc2ncc(OCCN3CCC(NC(=O)O)CC3)c(OCc3ccccc3)c2n1.
What is the InChIKey of [1-[2-[(6-methoxy-4-phenylmethoxy-1,5-naphthyridin-3-yl)oxy]ethyl]piperidin-4-yl]carbamic acid?
The InChIKey is OIYISQPPEJDGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O5/c1-31-21-8-7-19-22(27-21)23(33-16-17-5-3-2-4-6-17)20(15-25-19)32-14-13-28-11-9-18(10-12-28)26-24(29)30/h2-8,15,18,26H,9-14,16H2,1H3,(H,29,30).
What are the key properties of [1-[2-[(6-methoxy-4-phenylmethoxy-1,5-naphthyridin-3-yl)oxy]ethyl]piperidin-4-yl]carbamic acid?
[1-[2-[(6-methoxy-4-phenylmethoxy-1,5-naphthyridin-3-yl)oxy]ethyl]piperidin-4-yl]carbamic acid has a molecular weight of 452.51 g/mol, XLogP of 3.33, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[(6-methoxy-4-phenylmethoxy-1,5-naphthyridin-3-yl)oxy]ethyl]piperidin-4-yl]carbamic acid is sourced from PubChem (CID 141275453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).