N-[[3-[3-fluoro-4-[4-[(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)methyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C27H31FN4O4 — CID 11409310

About N-[[3-[3-fluoro-4-[4-[(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)methyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[3-[3-fluoro-4-[4-[(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)methyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 11409310) has the molecular formula C27H31FN4O4 and a molecular weight of 494.57 g/mol. Its IUPAC name is N-[[3-[3-fluoro-4-[4-[(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)methyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

• Compound Name: N-[[3-[3-fluoro-4-[4-[(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)methyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• PubChem CID: 11409310
• Molecular Formula: C27H31FN4O4
• Molecular Weight: 494.57 g/mol
• Exact Mass: 494.23
• IUPAC Name: N-[[3-[3-fluoro-4-[4-[(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)methyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• SMILES: CC(=O)NCC1CN(c2ccc(N3CCN(CC4CCc5ccccc5C4=O)CC3)c(F)c2)C(=O)O1
• InChI: InChI=1S/C27H31FN4O4/c1-18(33)29-15-22-17-32(27(35)36-22)21-8-9-25(24(28)14-21)31-12-10-30(11-13-31)16-20-7-6-19-4-2-3-5-23(19)26(20)34/h2-5,8-9,14,20,22H,6-7,10-13,15-17H2,1H3,(H,29,33)
• InChIKey: FVCNWBNDHJAING-UHFFFAOYSA-N
• XLogP: 2.85
• TPSA: 82.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	494.57
LogP ≤ 5	2.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[3-[3-fluoro-4-[4-[(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)methyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The IUPAC name of N-[[3-[3-fluoro-4-[4-[(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)methyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 11409310) is N-[[3-[3-fluoro-4-[4-[(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)methyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

What is the SMILES notation for N-[[3-[3-fluoro-4-[4-[(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)methyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The canonical SMILES for N-[[3-[3-fluoro-4-[4-[(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)methyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NCC1CN(c2ccc(N3CCN(CC4CCc5ccccc5C4=O)CC3)c(F)c2)C(=O)O1.

What is the InChIKey of N-[[3-[3-fluoro-4-[4-[(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)methyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The InChIKey is FVCNWBNDHJAING-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31FN4O4/c1-18(33)29-15-22-17-32(27(35)36-22)21-8-9-25(24(28)14-21)31-12-10-30(11-13-31)16-20-7-6-19-4-2-3-5-23(19)26(20)34/h2-5,8-9,14,20,22H,6-7,10-13,15-17H2,1H3,(H,29,33).

What are the key properties of N-[[3-[3-fluoro-4-[4-[(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)methyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

N-[[3-[3-fluoro-4-[4-[(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)methyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 494.57 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3-[3-fluoro-4-[4-[(1-oxo-3,4-dihydro-2H-naphthalen-2-yl)methyl]piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 11409310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).