2-[1-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]piperidin-3-yl]oxy-N-(6-methoxy-1,5-naphthyridin-4-yl)acetamide

C27H30N4O5 — CID 69473115

IUPAC2-[1-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]piperidin-3-yl]oxy-N-(6-methoxy-1,5-naphthyridin-4-yl)acetamide
SMILESCOc1ccc2nccc(NC(=O)COC3CCCN(C(C4=CC=CCC4)C4=COC=CO4)C3)c2n1
InChIInChI=1S/C27H30N4O5/c1-33-25-10-9-21-26(30-25)22(11-12-28-21)29-24(32)18-36-20-8-5-13-31(16-20)27(19-6-3-2-4-7-19)23-17-34-14-15-35-23/h2-3,6,9-12,14-15,17,20,27H,4-5,7-8,13,16,18H2,1H3,(H,28,29,32)
InChIKeyAWYXVQVRBJFYAS-UHFFFAOYSA-N
MW490.56 g/mol
LogP4.06
Rot. Bonds8

About 2-[1-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]piperidin-3-yl]oxy-N-(6-methoxy-1,5-naphthyridin-4-yl)acetamide

2-[1-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]piperidin-3-yl]oxy-N-(6-methoxy-1,5-naphthyridin-4-yl)acetamide (PubChem CID 69473115) has the molecular formula C27H30N4O5 and a molecular weight of 490.56 g/mol. Its IUPAC name is 2-[1-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]piperidin-3-yl]oxy-N-(6-methoxy-1,5-naphthyridin-4-yl)acetamide.

Molecular Properties

Compound Name2-[1-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]piperidin-3-yl]oxy-N-(6-methoxy-1,5-naphthyridin-4-yl)acetamide
PubChem CID69473115
Molecular FormulaC27H30N4O5
Molecular Weight490.56 g/mol
Exact Mass490.22
IUPAC Name2-[1-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]piperidin-3-yl]oxy-N-(6-methoxy-1,5-naphthyridin-4-yl)acetamide
SMILESCOc1ccc2nccc(NC(=O)COC3CCCN(C(C4=CC=CCC4)C4=COC=CO4)C3)c2n1
InChIInChI=1S/C27H30N4O5/c1-33-25-10-9-21-26(30-25)22(11-12-28-21)29-24(32)18-36-20-8-5-13-31(16-20)27(19-6-3-2-4-7-19)23-17-34-14-15-35-23/h2-3,6,9-12,14-15,17,20,27H,4-5,7-8,13,16,18H2,1H3,(H,28,29,32)
InChIKeyAWYXVQVRBJFYAS-UHFFFAOYSA-N
XLogP4.06
TPSA95.04 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.56
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]piperidin-3-yl]oxy-N-(6-methoxy-1,5-naphthyridin-4-yl)acetamide?
The IUPAC name of 2-[1-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]piperidin-3-yl]oxy-N-(6-methoxy-1,5-naphthyridin-4-yl)acetamide (CID 69473115) is 2-[1-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]piperidin-3-yl]oxy-N-(6-methoxy-1,5-naphthyridin-4-yl)acetamide.
What is the SMILES notation for 2-[1-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]piperidin-3-yl]oxy-N-(6-methoxy-1,5-naphthyridin-4-yl)acetamide?
The canonical SMILES for 2-[1-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]piperidin-3-yl]oxy-N-(6-methoxy-1,5-naphthyridin-4-yl)acetamide is COc1ccc2nccc(NC(=O)COC3CCCN(C(C4=CC=CCC4)C4=COC=CO4)C3)c2n1.
What is the InChIKey of 2-[1-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]piperidin-3-yl]oxy-N-(6-methoxy-1,5-naphthyridin-4-yl)acetamide?
The InChIKey is AWYXVQVRBJFYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O5/c1-33-25-10-9-21-26(30-25)22(11-12-28-21)29-24(32)18-36-20-8-5-13-31(16-20)27(19-6-3-2-4-7-19)23-17-34-14-15-35-23/h2-3,6,9-12,14-15,17,20,27H,4-5,7-8,13,16,18H2,1H3,(H,28,29,32).
What are the key properties of 2-[1-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]piperidin-3-yl]oxy-N-(6-methoxy-1,5-naphthyridin-4-yl)acetamide?
2-[1-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]piperidin-3-yl]oxy-N-(6-methoxy-1,5-naphthyridin-4-yl)acetamide has a molecular weight of 490.56 g/mol, XLogP of 4.06, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[cyclohexa-1,3-dien-1-yl(1,4-dioxin-2-yl)methyl]piperidin-3-yl]oxy-N-(6-methoxy-1,5-naphthyridin-4-yl)acetamide is sourced from PubChem (CID 69473115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).