N-(1-cyclopropylethyl)-2-[2',4'-dioxo-6-(piperidin-3-ylamino)spiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide

C31H37FN4O4 — CID 135206076

About N-(1-cyclopropylethyl)-2-[2',4'-dioxo-6-(piperidin-3-ylamino)spiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide

N-(1-cyclopropylethyl)-2-[2',4'-dioxo-6-(piperidin-3-ylamino)spiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide (PubChem CID 135206076) has the molecular formula C31H37FN4O4 and a molecular weight of 548.66 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-2-[2',4'-dioxo-6-(piperidin-3-ylamino)spiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide.

Molecular Properties

• Compound Name: N-(1-cyclopropylethyl)-2-[2',4'-dioxo-6-(piperidin-3-ylamino)spiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide
• PubChem CID: 135206076
• Molecular Formula: C31H37FN4O4
• Molecular Weight: 548.66 g/mol
• Exact Mass: 548.28
• IUPAC Name: N-(1-cyclopropylethyl)-2-[2',4'-dioxo-6-(piperidin-3-ylamino)spiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide
• SMILES: CC(C1CC1)N(CCc1ccc(F)cc1)C(=O)CN1C(=O)OC2(CCc3cc(NC4CCCNC4)ccc32)C1=O
• InChI: InChI=1S/C31H37FN4O4/c1-20(22-6-7-22)35(16-13-21-4-8-24(32)9-5-21)28(37)19-36-29(38)31(40-30(36)39)14-12-23-17-25(10-11-27(23)31)34-26-3-2-15-33-18-26/h4-5,8-11,17,20,22,26,33-34H,2-3,6-7,12-16,18-19H2,1H3
• InChIKey: HIMLIOKMQRUAGF-UHFFFAOYSA-N
• XLogP: 3.98
• TPSA: 90.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	548.66
LogP ≤ 5	3.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-2-[2',4'-dioxo-6-(piperidin-3-ylamino)spiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide?

The IUPAC name of N-(1-cyclopropylethyl)-2-[2',4'-dioxo-6-(piperidin-3-ylamino)spiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide (CID 135206076) is N-(1-cyclopropylethyl)-2-[2',4'-dioxo-6-(piperidin-3-ylamino)spiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide.

What is the SMILES notation for N-(1-cyclopropylethyl)-2-[2',4'-dioxo-6-(piperidin-3-ylamino)spiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide?

The canonical SMILES for N-(1-cyclopropylethyl)-2-[2',4'-dioxo-6-(piperidin-3-ylamino)spiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide is CC(C1CC1)N(CCc1ccc(F)cc1)C(=O)CN1C(=O)OC2(CCc3cc(NC4CCCNC4)ccc32)C1=O.

What is the InChIKey of N-(1-cyclopropylethyl)-2-[2',4'-dioxo-6-(piperidin-3-ylamino)spiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide?

The InChIKey is HIMLIOKMQRUAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37FN4O4/c1-20(22-6-7-22)35(16-13-21-4-8-24(32)9-5-21)28(37)19-36-29(38)31(40-30(36)39)14-12-23-17-25(10-11-27(23)31)34-26-3-2-15-33-18-26/h4-5,8-11,17,20,22,26,33-34H,2-3,6-7,12-16,18-19H2,1H3.

What are the key properties of N-(1-cyclopropylethyl)-2-[2',4'-dioxo-6-(piperidin-3-ylamino)spiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide?

N-(1-cyclopropylethyl)-2-[2',4'-dioxo-6-(piperidin-3-ylamino)spiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide has a molecular weight of 548.66 g/mol, XLogP of 3.98, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-cyclopropylethyl)-2-[2',4'-dioxo-6-(piperidin-3-ylamino)spiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 135206076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).