N-(1,3-benzodioxol-5-ylmethyl)-1-(4-benzyl-3-oxoquinoxalin-2-yl)piperidine-4-carboxamide

C29H28N4O4 — CID 30444920

About N-(1,3-benzodioxol-5-ylmethyl)-1-(4-benzyl-3-oxoquinoxalin-2-yl)piperidine-4-carboxamide

N-(1,3-benzodioxol-5-ylmethyl)-1-(4-benzyl-3-oxoquinoxalin-2-yl)piperidine-4-carboxamide (PubChem CID 30444920) has the molecular formula C29H28N4O4 and a molecular weight of 496.57 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-1-(4-benzyl-3-oxoquinoxalin-2-yl)piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(4-benzyl-3-oxoquinoxalin-2-yl)piperidine-4-carboxamide
• PubChem CID: 30444920
• Molecular Formula: C29H28N4O4
• Molecular Weight: 496.57 g/mol
• Exact Mass: 496.21
• IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-1-(4-benzyl-3-oxoquinoxalin-2-yl)piperidine-4-carboxamide
• SMILES: O=C(NCc1ccc2c(c1)OCO2)C1CCN(c2nc3ccccc3n(Cc3ccccc3)c2=O)CC1
• InChI: InChI=1S/C29H28N4O4/c34-28(30-17-21-10-11-25-26(16-21)37-19-36-25)22-12-14-32(15-13-22)27-29(35)33(18-20-6-2-1-3-7-20)24-9-5-4-8-23(24)31-27/h1-11,16,22H,12-15,17-19H2,(H,30,34)
• InChIKey: DCMHCWXBSKLLAJ-UHFFFAOYSA-N
• XLogP: 3.71
• TPSA: 85.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	496.57
LogP ≤ 5	3.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-1-(4-benzyl-3-oxoquinoxalin-2-yl)piperidine-4-carboxamide?

The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-1-(4-benzyl-3-oxoquinoxalin-2-yl)piperidine-4-carboxamide (CID 30444920) is N-(1,3-benzodioxol-5-ylmethyl)-1-(4-benzyl-3-oxoquinoxalin-2-yl)piperidine-4-carboxamide.

What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-1-(4-benzyl-3-oxoquinoxalin-2-yl)piperidine-4-carboxamide?

The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-1-(4-benzyl-3-oxoquinoxalin-2-yl)piperidine-4-carboxamide is O=C(NCc1ccc2c(c1)OCO2)C1CCN(c2nc3ccccc3n(Cc3ccccc3)c2=O)CC1.

What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-1-(4-benzyl-3-oxoquinoxalin-2-yl)piperidine-4-carboxamide?

The InChIKey is DCMHCWXBSKLLAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N4O4/c34-28(30-17-21-10-11-25-26(16-21)37-19-36-25)22-12-14-32(15-13-22)27-29(35)33(18-20-6-2-1-3-7-20)24-9-5-4-8-23(24)31-27/h1-11,16,22H,12-15,17-19H2,(H,30,34).

What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-1-(4-benzyl-3-oxoquinoxalin-2-yl)piperidine-4-carboxamide?

N-(1,3-benzodioxol-5-ylmethyl)-1-(4-benzyl-3-oxoquinoxalin-2-yl)piperidine-4-carboxamide has a molecular weight of 496.57 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1,3-benzodioxol-5-ylmethyl)-1-(4-benzyl-3-oxoquinoxalin-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 30444920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).