N-[(2S)-4-[(2S)-2-ethylpiperidin-1-yl]-1-[[(1S)-1-(4-fluoro-2,3-dihydro-1H-benzimidazol-2-yl)ethyl]amino]-1,4-dioxobutan-2-yl]-5-methyl-1,2-oxazolidine-3-carboxamide

C25H37FN6O4 — CID 166980421

About N-[(2S)-4-[(2S)-2-ethylpiperidin-1-yl]-1-[[(1S)-1-(4-fluoro-2,3-dihydro-1H-benzimidazol-2-yl)ethyl]amino]-1,4-dioxobutan-2-yl]-5-methyl-1,2-oxazolidine-3-carboxamide

N-[(2S)-4-[(2S)-2-ethylpiperidin-1-yl]-1-[[(1S)-1-(4-fluoro-2,3-dihydro-1H-benzimidazol-2-yl)ethyl]amino]-1,4-dioxobutan-2-yl]-5-methyl-1,2-oxazolidine-3-carboxamide (PubChem CID 166980421) has the molecular formula C25H37FN6O4 and a molecular weight of 504.61 g/mol. Its IUPAC name is N-[(2S)-4-[(2S)-2-ethylpiperidin-1-yl]-1-[[(1S)-1-(4-fluoro-2,3-dihydro-1H-benzimidazol-2-yl)ethyl]amino]-1,4-dioxobutan-2-yl]-5-methyl-1,2-oxazolidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-4-[(2S)-2-ethylpiperidin-1-yl]-1-[[(1S)-1-(4-fluoro-2,3-dihydro-1H-benzimidazol-2-yl)ethyl]amino]-1,4-dioxobutan-2-yl]-5-methyl-1,2-oxazolidine-3-carboxamide
• PubChem CID: 166980421
• Molecular Formula: C25H37FN6O4
• Molecular Weight: 504.61 g/mol
• Exact Mass: 504.29
• IUPAC Name: N-[(2S)-4-[(2S)-2-ethylpiperidin-1-yl]-1-[[(1S)-1-(4-fluoro-2,3-dihydro-1H-benzimidazol-2-yl)ethyl]amino]-1,4-dioxobutan-2-yl]-5-methyl-1,2-oxazolidine-3-carboxamide
• SMILES: CC[C@H]1CCCCN1C(=O)C[C@H](NC(=O)C1CC(C)ON1)C(=O)N[C@@H](C)C1Nc2cccc(F)c2N1
• InChI: InChI=1S/C25H37FN6O4/c1-4-16-8-5-6-11-32(16)21(33)13-19(29-25(35)20-12-14(2)36-31-20)24(34)27-15(3)23-28-18-10-7-9-17(26)22(18)30-23/h7,9-10,14-16,19-20,23,28,30-31H,4-6,8,11-13H2,1-3H3,(H,27,34)(H,29,35)/t14?,15-,16-,19-,20?,23?/m0/s1
• InChIKey: PHVFFYPTCRUSRV-YDAXERMPSA-N
• XLogP: 1.84
• TPSA: 123.83 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.61
LogP ≤ 5	1.84
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-4-[(2S)-2-ethylpiperidin-1-yl]-1-[[(1S)-1-(4-fluoro-2,3-dihydro-1H-benzimidazol-2-yl)ethyl]amino]-1,4-dioxobutan-2-yl]-5-methyl-1,2-oxazolidine-3-carboxamide?

The IUPAC name of N-[(2S)-4-[(2S)-2-ethylpiperidin-1-yl]-1-[[(1S)-1-(4-fluoro-2,3-dihydro-1H-benzimidazol-2-yl)ethyl]amino]-1,4-dioxobutan-2-yl]-5-methyl-1,2-oxazolidine-3-carboxamide (CID 166980421) is N-[(2S)-4-[(2S)-2-ethylpiperidin-1-yl]-1-[[(1S)-1-(4-fluoro-2,3-dihydro-1H-benzimidazol-2-yl)ethyl]amino]-1,4-dioxobutan-2-yl]-5-methyl-1,2-oxazolidine-3-carboxamide.

What is the SMILES notation for N-[(2S)-4-[(2S)-2-ethylpiperidin-1-yl]-1-[[(1S)-1-(4-fluoro-2,3-dihydro-1H-benzimidazol-2-yl)ethyl]amino]-1,4-dioxobutan-2-yl]-5-methyl-1,2-oxazolidine-3-carboxamide?

The canonical SMILES for N-[(2S)-4-[(2S)-2-ethylpiperidin-1-yl]-1-[[(1S)-1-(4-fluoro-2,3-dihydro-1H-benzimidazol-2-yl)ethyl]amino]-1,4-dioxobutan-2-yl]-5-methyl-1,2-oxazolidine-3-carboxamide is CC[C@H]1CCCCN1C(=O)C[C@H](NC(=O)C1CC(C)ON1)C(=O)N[C@@H](C)C1Nc2cccc(F)c2N1.

What is the InChIKey of N-[(2S)-4-[(2S)-2-ethylpiperidin-1-yl]-1-[[(1S)-1-(4-fluoro-2,3-dihydro-1H-benzimidazol-2-yl)ethyl]amino]-1,4-dioxobutan-2-yl]-5-methyl-1,2-oxazolidine-3-carboxamide?

The InChIKey is PHVFFYPTCRUSRV-YDAXERMPSA-N. The full InChI is InChI=1S/C25H37FN6O4/c1-4-16-8-5-6-11-32(16)21(33)13-19(29-25(35)20-12-14(2)36-31-20)24(34)27-15(3)23-28-18-10-7-9-17(26)22(18)30-23/h7,9-10,14-16,19-20,23,28,30-31H,4-6,8,11-13H2,1-3H3,(H,27,34)(H,29,35)/t14?,15-,16-,19-,20?,23?/m0/s1.

What are the key properties of N-[(2S)-4-[(2S)-2-ethylpiperidin-1-yl]-1-[[(1S)-1-(4-fluoro-2,3-dihydro-1H-benzimidazol-2-yl)ethyl]amino]-1,4-dioxobutan-2-yl]-5-methyl-1,2-oxazolidine-3-carboxamide?

N-[(2S)-4-[(2S)-2-ethylpiperidin-1-yl]-1-[[(1S)-1-(4-fluoro-2,3-dihydro-1H-benzimidazol-2-yl)ethyl]amino]-1,4-dioxobutan-2-yl]-5-methyl-1,2-oxazolidine-3-carboxamide has a molecular weight of 504.61 g/mol, XLogP of 1.84, 8 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-4-[(2S)-2-ethylpiperidin-1-yl]-1-[[(1S)-1-(4-fluoro-2,3-dihydro-1H-benzimidazol-2-yl)ethyl]amino]-1,4-dioxobutan-2-yl]-5-methyl-1,2-oxazolidine-3-carboxamide is sourced from PubChem (CID 166980421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).