2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl N-[1-[2-(7-methoxy-2-oxopyrido[2,3-b]pyrazin-1-yl)ethyl]piperidin-4-yl]carbamate

C24H28N6O6 — CID 142697966

About 2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl N-[1-[2-(7-methoxy-2-oxopyrido[2,3-b]pyrazin-1-yl)ethyl]piperidin-4-yl]carbamate

2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl N-[1-[2-(7-methoxy-2-oxopyrido[2,3-b]pyrazin-1-yl)ethyl]piperidin-4-yl]carbamate (PubChem CID 142697966) has the molecular formula C24H28N6O6 and a molecular weight of 496.52 g/mol. Its IUPAC name is 2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl N-[1-[2-(7-methoxy-2-oxopyrido[2,3-b]pyrazin-1-yl)ethyl]piperidin-4-yl]carbamate.

Molecular Properties

• Compound Name: 2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl N-[1-[2-(7-methoxy-2-oxopyrido[2,3-b]pyrazin-1-yl)ethyl]piperidin-4-yl]carbamate
• PubChem CID: 142697966
• Molecular Formula: C24H28N6O6
• Molecular Weight: 496.52 g/mol
• Exact Mass: 496.21
• IUPAC Name: 2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl N-[1-[2-(7-methoxy-2-oxopyrido[2,3-b]pyrazin-1-yl)ethyl]piperidin-4-yl]carbamate
• SMILES: COc1cnc2ncc(=O)n(CCN3CCC(NC(=O)OCc4cc5c(cn4)OCCO5)CC3)c2c1
• InChI: InChI=1S/C24H28N6O6/c1-33-18-11-19-23(26-12-18)27-14-22(31)30(19)7-6-29-4-2-16(3-5-29)28-24(32)36-15-17-10-20-21(13-25-17)35-9-8-34-20/h10-14,16H,2-9,15H2,1H3,(H,28,32)
• InChIKey: FTRSMZUMPIIXRG-UHFFFAOYSA-N
• XLogP: 1.36
• TPSA: 129.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	496.52
LogP ≤ 5	1.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl N-[1-[2-(7-methoxy-2-oxopyrido[2,3-b]pyrazin-1-yl)ethyl]piperidin-4-yl]carbamate?

The IUPAC name of 2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl N-[1-[2-(7-methoxy-2-oxopyrido[2,3-b]pyrazin-1-yl)ethyl]piperidin-4-yl]carbamate (CID 142697966) is 2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl N-[1-[2-(7-methoxy-2-oxopyrido[2,3-b]pyrazin-1-yl)ethyl]piperidin-4-yl]carbamate.

What is the SMILES notation for 2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl N-[1-[2-(7-methoxy-2-oxopyrido[2,3-b]pyrazin-1-yl)ethyl]piperidin-4-yl]carbamate?

The canonical SMILES for 2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl N-[1-[2-(7-methoxy-2-oxopyrido[2,3-b]pyrazin-1-yl)ethyl]piperidin-4-yl]carbamate is COc1cnc2ncc(=O)n(CCN3CCC(NC(=O)OCc4cc5c(cn4)OCCO5)CC3)c2c1.

What is the InChIKey of 2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl N-[1-[2-(7-methoxy-2-oxopyrido[2,3-b]pyrazin-1-yl)ethyl]piperidin-4-yl]carbamate?

The InChIKey is FTRSMZUMPIIXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O6/c1-33-18-11-19-23(26-12-18)27-14-22(31)30(19)7-6-29-4-2-16(3-5-29)28-24(32)36-15-17-10-20-21(13-25-17)35-9-8-34-20/h10-14,16H,2-9,15H2,1H3,(H,28,32).

What are the key properties of 2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl N-[1-[2-(7-methoxy-2-oxopyrido[2,3-b]pyrazin-1-yl)ethyl]piperidin-4-yl]carbamate?

2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl N-[1-[2-(7-methoxy-2-oxopyrido[2,3-b]pyrazin-1-yl)ethyl]piperidin-4-yl]carbamate has a molecular weight of 496.52 g/mol, XLogP of 1.36, 7 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethyl N-[1-[2-(7-methoxy-2-oxopyrido[2,3-b]pyrazin-1-yl)ethyl]piperidin-4-yl]carbamate is sourced from PubChem (CID 142697966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).