N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)propanamide

C24H31N5O3 — CID 91951394

About N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)propanamide

N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)propanamide (PubChem CID 91951394) has the molecular formula C24H31N5O3 and a molecular weight of 437.54 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)propanamide.

Molecular Properties

• Compound Name: N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)propanamide
• PubChem CID: 91951394
• Molecular Formula: C24H31N5O3
• Molecular Weight: 437.54 g/mol
• Exact Mass: 437.24
• IUPAC Name: N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)propanamide
• SMILES: CN(C)C(CNC(=O)CCn1c(=O)c(N2CCCCC2)nc2ccccc21)c1ccco1
• InChI: InChI=1S/C24H31N5O3/c1-27(2)20(21-11-8-16-32-21)17-25-22(30)12-15-29-19-10-5-4-9-18(19)26-23(24(29)31)28-13-6-3-7-14-28/h4-5,8-11,16,20H,3,6-7,12-15,17H2,1-2H3,(H,25,30)
• InChIKey: IVXIMJBTNSMBCA-UHFFFAOYSA-N
• XLogP: 2.79
• TPSA: 83.61 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.54
LogP ≤ 5	2.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)propanamide?

The IUPAC name of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)propanamide (CID 91951394) is N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)propanamide.

What is the SMILES notation for N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)propanamide?

The canonical SMILES for N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)propanamide is CN(C)C(CNC(=O)CCn1c(=O)c(N2CCCCC2)nc2ccccc21)c1ccco1.

What is the InChIKey of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)propanamide?

The InChIKey is IVXIMJBTNSMBCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O3/c1-27(2)20(21-11-8-16-32-21)17-25-22(30)12-15-29-19-10-5-4-9-18(19)26-23(24(29)31)28-13-6-3-7-14-28/h4-5,8-11,16,20H,3,6-7,12-15,17H2,1-2H3,(H,25,30).

What are the key properties of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)propanamide?

N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)propanamide has a molecular weight of 437.54 g/mol, XLogP of 2.79, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(2-oxo-3-piperidin-1-ylquinoxalin-1-yl)propanamide is sourced from PubChem (CID 91951394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).