N-[(2R)-1-[4-[3-[4-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]-3-fluorophenoxy]propyl]piperazin-1-yl]-1-oxopropan-2-yl]-4-methylbenzamide

C32H40FN5O4 — CID 70035076

About N-[(2R)-1-[4-[3-[4-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]-3-fluorophenoxy]propyl]piperazin-1-yl]-1-oxopropan-2-yl]-4-methylbenzamide

N-[(2R)-1-[4-[3-[4-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]-3-fluorophenoxy]propyl]piperazin-1-yl]-1-oxopropan-2-yl]-4-methylbenzamide (PubChem CID 70035076) has the molecular formula C32H40FN5O4 and a molecular weight of 577.70 g/mol. Its IUPAC name is N-[(2R)-1-[4-[3-[4-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]-3-fluorophenoxy]propyl]piperazin-1-yl]-1-oxopropan-2-yl]-4-methylbenzamide.

Molecular Properties

• Compound Name: N-[(2R)-1-[4-[3-[4-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]-3-fluorophenoxy]propyl]piperazin-1-yl]-1-oxopropan-2-yl]-4-methylbenzamide
• PubChem CID: 70035076
• Molecular Formula: C32H40FN5O4
• Molecular Weight: 577.70 g/mol
• Exact Mass: 577.31
• IUPAC Name: N-[(2R)-1-[4-[3-[4-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]-3-fluorophenoxy]propyl]piperazin-1-yl]-1-oxopropan-2-yl]-4-methylbenzamide
• SMILES: Cc1ccc(C(=O)N[C@H](C)C(=O)N2CCN(CCCOc3ccc(-c4noc(CC5CCCC5)n4)c(F)c3)CC2)cc1
• InChI: InChI=1S/C32H40FN5O4/c1-22-8-10-25(11-9-22)31(39)34-23(2)32(40)38-17-15-37(16-18-38)14-5-19-41-26-12-13-27(28(33)21-26)30-35-29(42-36-30)20-24-6-3-4-7-24/h8-13,21,23-24H,3-7,14-20H2,1-2H3,(H,34,39)/t23-/m1/s1
• InChIKey: QQYMVUGBLQBSFS-HSZRJFAPSA-N
• XLogP: 4.65
• TPSA: 100.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	577.70
LogP ≤ 5	4.65
H-Bond Donors ≤ 5	1
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)-1-[4-[3-[4-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]-3-fluorophenoxy]propyl]piperazin-1-yl]-1-oxopropan-2-yl]-4-methylbenzamide?

The IUPAC name of N-[(2R)-1-[4-[3-[4-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]-3-fluorophenoxy]propyl]piperazin-1-yl]-1-oxopropan-2-yl]-4-methylbenzamide (CID 70035076) is N-[(2R)-1-[4-[3-[4-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]-3-fluorophenoxy]propyl]piperazin-1-yl]-1-oxopropan-2-yl]-4-methylbenzamide.

What is the SMILES notation for N-[(2R)-1-[4-[3-[4-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]-3-fluorophenoxy]propyl]piperazin-1-yl]-1-oxopropan-2-yl]-4-methylbenzamide?

The canonical SMILES for N-[(2R)-1-[4-[3-[4-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]-3-fluorophenoxy]propyl]piperazin-1-yl]-1-oxopropan-2-yl]-4-methylbenzamide is Cc1ccc(C(=O)N[C@H](C)C(=O)N2CCN(CCCOc3ccc(-c4noc(CC5CCCC5)n4)c(F)c3)CC2)cc1.

What is the InChIKey of N-[(2R)-1-[4-[3-[4-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]-3-fluorophenoxy]propyl]piperazin-1-yl]-1-oxopropan-2-yl]-4-methylbenzamide?

The InChIKey is QQYMVUGBLQBSFS-HSZRJFAPSA-N. The full InChI is InChI=1S/C32H40FN5O4/c1-22-8-10-25(11-9-22)31(39)34-23(2)32(40)38-17-15-37(16-18-38)14-5-19-41-26-12-13-27(28(33)21-26)30-35-29(42-36-30)20-24-6-3-4-7-24/h8-13,21,23-24H,3-7,14-20H2,1-2H3,(H,34,39)/t23-/m1/s1.

What are the key properties of N-[(2R)-1-[4-[3-[4-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]-3-fluorophenoxy]propyl]piperazin-1-yl]-1-oxopropan-2-yl]-4-methylbenzamide?

N-[(2R)-1-[4-[3-[4-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]-3-fluorophenoxy]propyl]piperazin-1-yl]-1-oxopropan-2-yl]-4-methylbenzamide has a molecular weight of 577.70 g/mol, XLogP of 4.65, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-1-[4-[3-[4-[5-(cyclopentylmethyl)-1,2,4-oxadiazol-3-yl]-3-fluorophenoxy]propyl]piperazin-1-yl]-1-oxopropan-2-yl]-4-methylbenzamide is sourced from PubChem (CID 70035076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).