2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[1-[2-(2-oxoquinolin-1-yl)ethyl]piperidin-4-yl]carbamic acid

C26H29N3O5 — CID 69289891

About 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[1-[2-(2-oxoquinolin-1-yl)ethyl]piperidin-4-yl]carbamic acid

2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[1-[2-(2-oxoquinolin-1-yl)ethyl]piperidin-4-yl]carbamic acid (PubChem CID 69289891) has the molecular formula C26H29N3O5 and a molecular weight of 463.53 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[1-[2-(2-oxoquinolin-1-yl)ethyl]piperidin-4-yl]carbamic acid.

Molecular Properties

• Compound Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[1-[2-(2-oxoquinolin-1-yl)ethyl]piperidin-4-yl]carbamic acid
• PubChem CID: 69289891
• Molecular Formula: C26H29N3O5
• Molecular Weight: 463.53 g/mol
• Exact Mass: 463.21
• IUPAC Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[1-[2-(2-oxoquinolin-1-yl)ethyl]piperidin-4-yl]carbamic acid
• SMILES: O=C(O)N(Cc1ccc2c(c1)OCCO2)C1CCN(CCn2c(=O)ccc3ccccc32)CC1
• InChI: InChI=1S/C26H29N3O5/c30-25-8-6-20-3-1-2-4-22(20)28(25)14-13-27-11-9-21(10-12-27)29(26(31)32)18-19-5-7-23-24(17-19)34-16-15-33-23/h1-8,17,21H,9-16,18H2,(H,31,32)
• InChIKey: LHMPNLYUZIAEDT-UHFFFAOYSA-N
• XLogP: 3.42
• TPSA: 84.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.53
LogP ≤ 5	3.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[1-[2-(2-oxoquinolin-1-yl)ethyl]piperidin-4-yl]carbamic acid?

The IUPAC name of 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[1-[2-(2-oxoquinolin-1-yl)ethyl]piperidin-4-yl]carbamic acid (CID 69289891) is 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[1-[2-(2-oxoquinolin-1-yl)ethyl]piperidin-4-yl]carbamic acid.

What is the SMILES notation for 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[1-[2-(2-oxoquinolin-1-yl)ethyl]piperidin-4-yl]carbamic acid?

The canonical SMILES for 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[1-[2-(2-oxoquinolin-1-yl)ethyl]piperidin-4-yl]carbamic acid is O=C(O)N(Cc1ccc2c(c1)OCCO2)C1CCN(CCn2c(=O)ccc3ccccc32)CC1.

What is the InChIKey of 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[1-[2-(2-oxoquinolin-1-yl)ethyl]piperidin-4-yl]carbamic acid?

The InChIKey is LHMPNLYUZIAEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O5/c30-25-8-6-20-3-1-2-4-22(20)28(25)14-13-27-11-9-21(10-12-27)29(26(31)32)18-19-5-7-23-24(17-19)34-16-15-33-23/h1-8,17,21H,9-16,18H2,(H,31,32).

What are the key properties of 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[1-[2-(2-oxoquinolin-1-yl)ethyl]piperidin-4-yl]carbamic acid?

2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[1-[2-(2-oxoquinolin-1-yl)ethyl]piperidin-4-yl]carbamic acid has a molecular weight of 463.53 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[1-[2-(2-oxoquinolin-1-yl)ethyl]piperidin-4-yl]carbamic acid is sourced from PubChem (CID 69289891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).