N-[(2R)-4-aminobutan-2-yl]-4-[3-[1-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]propoxy]-2-methylbenzamide

C25H38FN5O3 — CID 58354858

About N-[(2R)-4-aminobutan-2-yl]-4-[3-[1-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]propoxy]-2-methylbenzamide

N-[(2R)-4-aminobutan-2-yl]-4-[3-[1-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]propoxy]-2-methylbenzamide (PubChem CID 58354858) has the molecular formula C25H38FN5O3 and a molecular weight of 475.61 g/mol. Its IUPAC name is N-[(2R)-4-aminobutan-2-yl]-4-[3-[1-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]propoxy]-2-methylbenzamide.

Molecular Properties

• Compound Name: N-[(2R)-4-aminobutan-2-yl]-4-[3-[1-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]propoxy]-2-methylbenzamide
• PubChem CID: 58354858
• Molecular Formula: C25H38FN5O3
• Molecular Weight: 475.61 g/mol
• Exact Mass: 475.30
• IUPAC Name: N-[(2R)-4-aminobutan-2-yl]-4-[3-[1-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]propoxy]-2-methylbenzamide
• SMILES: Cc1cc(OCCCC2CCN(c3noc(C(C)(C)F)n3)CC2)ccc1C(=O)N[C@H](C)CCN
• InChI: InChI=1S/C25H38FN5O3/c1-17-16-20(7-8-21(17)22(32)28-18(2)9-12-27)33-15-5-6-19-10-13-31(14-11-19)24-29-23(34-30-24)25(3,4)26/h7-8,16,18-19H,5-6,9-15,27H2,1-4H3,(H,28,32)/t18-/m1/s1
• InChIKey: RXADENHSXDMWJO-GOSISDBHSA-N
• XLogP: 4.13
• TPSA: 106.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.61
LogP ≤ 5	4.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-4-aminobutan-2-yl]-4-[3-[1-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]propoxy]-2-methylbenzamide?

The IUPAC name of N-[(2R)-4-aminobutan-2-yl]-4-[3-[1-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]propoxy]-2-methylbenzamide (CID 58354858) is N-[(2R)-4-aminobutan-2-yl]-4-[3-[1-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]propoxy]-2-methylbenzamide.

What is the SMILES notation for N-[(2R)-4-aminobutan-2-yl]-4-[3-[1-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]propoxy]-2-methylbenzamide?

The canonical SMILES for N-[(2R)-4-aminobutan-2-yl]-4-[3-[1-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]propoxy]-2-methylbenzamide is Cc1cc(OCCCC2CCN(c3noc(C(C)(C)F)n3)CC2)ccc1C(=O)N[C@H](C)CCN.

What is the InChIKey of N-[(2R)-4-aminobutan-2-yl]-4-[3-[1-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]propoxy]-2-methylbenzamide?

The InChIKey is RXADENHSXDMWJO-GOSISDBHSA-N. The full InChI is InChI=1S/C25H38FN5O3/c1-17-16-20(7-8-21(17)22(32)28-18(2)9-12-27)33-15-5-6-19-10-13-31(14-11-19)24-29-23(34-30-24)25(3,4)26/h7-8,16,18-19H,5-6,9-15,27H2,1-4H3,(H,28,32)/t18-/m1/s1.

What are the key properties of N-[(2R)-4-aminobutan-2-yl]-4-[3-[1-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]propoxy]-2-methylbenzamide?

N-[(2R)-4-aminobutan-2-yl]-4-[3-[1-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]propoxy]-2-methylbenzamide has a molecular weight of 475.61 g/mol, XLogP of 4.13, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-4-aminobutan-2-yl]-4-[3-[1-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-4-yl]propoxy]-2-methylbenzamide is sourced from PubChem (CID 58354858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).