(4-fluorophenyl) 4-[2-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-oxoethyl]piperazine-1-carboxylate;4-[2-[3-methyl-4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-oxoethyl]piperazin-2-one;1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-[4-(2-phenylbenzoyl)piperazin-1-yl]ethanone

C81H104FN9O10 — CID 159382432

About (4-fluorophenyl) 4-[2-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-oxoethyl]piperazine-1-carboxylate;4-[2-[3-methyl-4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-oxoethyl]piperazin-2-one;1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-[4-(2-phenylbenzoyl)piperazin-1-yl]ethanone

(4-fluorophenyl) 4-[2-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-oxoethyl]piperazine-1-carboxylate;4-[2-[3-methyl-4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-oxoethyl]piperazin-2-one;1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-[4-(2-phenylbenzoyl)piperazin-1-yl]ethanone (PubChem CID 159382432) has the molecular formula C81H104FN9O10 and a molecular weight of 1382.77 g/mol. Its IUPAC name is (4-fluorophenyl) 4-[2-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-oxoethyl]piperazine-1-carboxylate;4-[2-[3-methyl-4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-oxoethyl]piperazin-2-one;1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-[4-(2-phenylbenzoyl)piperazin-1-yl]ethanone.

Molecular Properties

• Compound Name: (4-fluorophenyl) 4-[2-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-oxoethyl]piperazine-1-carboxylate;4-[2-[3-methyl-4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-oxoethyl]piperazin-2-one;1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-[4-(2-phenylbenzoyl)piperazin-1-yl]ethanone
• PubChem CID: 159382432
• Molecular Formula: C81H104FN9O10
• Molecular Weight: 1382.77 g/mol
• Exact Mass: 1381.79
• IUPAC Name: (4-fluorophenyl) 4-[2-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-oxoethyl]piperazine-1-carboxylate;4-[2-[3-methyl-4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-oxoethyl]piperazin-2-one;1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-[4-(2-phenylbenzoyl)piperazin-1-yl]ethanone
• SMILES: C[C@@H]1CCCN1CCCOc1ccc(C(=O)CN2CCN(C(=O)Oc3ccc(F)cc3)CC2)cc1.C[C@@H]1CCCN1CCCOc1ccc(C(=O)CN2CCN(C(=O)c3ccccc3-c3ccccc3)CC2)cc1.Cc1cc(C(=O)CN2CCNC(=O)C2)ccc1OCCCN1CCC[C@H]1C
• InChI: InChI=1S/C33H39N3O3.C27H34FN3O4.C21H31N3O3/c1-26-9-7-18-35(26)19-8-24-39-29-16-14-28(15-17-29)32(37)25-34-20-22-36(23-21-34)33(38)31-13-6-5-12-30(31)27-10-3-2-4-11-27;1-21-4-2-13-30(21)14-3-19-34-24-9-5-22(6-10-24)26(32)20-29-15-17-31(18-16-29)27(33)35-25-11-7-23(28)8-12-25;1-16-13-18(19(25)14-23-11-8-22-21(26)15-23)6-7-20(16)27-12-4-10-24-9-3-5-17(24)2/h2-6,10-17,26H,7-9,18-25H2,1H3;5-12,21H,2-4,13-20H2,1H3;6-7,13,17H,3-5,8-12,14-15H2,1-2H3,(H,22,26)/t26-;21-;17-/m111/s1
• InChIKey: LLBWIUKQRLKCMT-DOKYVWAHSA-N
• XLogP: 11.19
• TPSA: 177.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 16
• Rotatable Bonds: 27
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1382.77
LogP ≤ 5	11.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl) 4-[2-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-oxoethyl]piperazine-1-carboxylate;4-[2-[3-methyl-4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-oxoethyl]piperazin-2-one;1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-[4-(2-phenylbenzoyl)piperazin-1-yl]ethanone?

The IUPAC name of (4-fluorophenyl) 4-[2-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-oxoethyl]piperazine-1-carboxylate;4-[2-[3-methyl-4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-oxoethyl]piperazin-2-one;1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-[4-(2-phenylbenzoyl)piperazin-1-yl]ethanone (CID 159382432) is (4-fluorophenyl) 4-[2-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-oxoethyl]piperazine-1-carboxylate;4-[2-[3-methyl-4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-oxoethyl]piperazin-2-one;1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-[4-(2-phenylbenzoyl)piperazin-1-yl]ethanone.

What is the SMILES notation for (4-fluorophenyl) 4-[2-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-oxoethyl]piperazine-1-carboxylate;4-[2-[3-methyl-4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-oxoethyl]piperazin-2-one;1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-[4-(2-phenylbenzoyl)piperazin-1-yl]ethanone?

The canonical SMILES for (4-fluorophenyl) 4-[2-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-oxoethyl]piperazine-1-carboxylate;4-[2-[3-methyl-4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-oxoethyl]piperazin-2-one;1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-[4-(2-phenylbenzoyl)piperazin-1-yl]ethanone is C[C@@H]1CCCN1CCCOc1ccc(C(=O)CN2CCN(C(=O)Oc3ccc(F)cc3)CC2)cc1.C[C@@H]1CCCN1CCCOc1ccc(C(=O)CN2CCN(C(=O)c3ccccc3-c3ccccc3)CC2)cc1.Cc1cc(C(=O)CN2CCNC(=O)C2)ccc1OCCCN1CCC[C@H]1C.

What is the InChIKey of (4-fluorophenyl) 4-[2-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-oxoethyl]piperazine-1-carboxylate;4-[2-[3-methyl-4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-oxoethyl]piperazin-2-one;1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-[4-(2-phenylbenzoyl)piperazin-1-yl]ethanone?

The InChIKey is LLBWIUKQRLKCMT-DOKYVWAHSA-N. The full InChI is InChI=1S/C33H39N3O3.C27H34FN3O4.C21H31N3O3/c1-26-9-7-18-35(26)19-8-24-39-29-16-14-28(15-17-29)32(37)25-34-20-22-36(23-21-34)33(38)31-13-6-5-12-30(31)27-10-3-2-4-11-27;1-21-4-2-13-30(21)14-3-19-34-24-9-5-22(6-10-24)26(32)20-29-15-17-31(18-16-29)27(33)35-25-11-7-23(28)8-12-25;1-16-13-18(19(25)14-23-11-8-22-21(26)15-23)6-7-20(16)27-12-4-10-24-9-3-5-17(24)2/h2-6,10-17,26H,7-9,18-25H2,1H3;5-12,21H,2-4,13-20H2,1H3;6-7,13,17H,3-5,8-12,14-15H2,1-2H3,(H,22,26)/t26-;21-;17-/m111/s1.

What are the key properties of (4-fluorophenyl) 4-[2-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-oxoethyl]piperazine-1-carboxylate;4-[2-[3-methyl-4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-oxoethyl]piperazin-2-one;1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-[4-(2-phenylbenzoyl)piperazin-1-yl]ethanone?

(4-fluorophenyl) 4-[2-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-oxoethyl]piperazine-1-carboxylate;4-[2-[3-methyl-4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-oxoethyl]piperazin-2-one;1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-[4-(2-phenylbenzoyl)piperazin-1-yl]ethanone has a molecular weight of 1382.77 g/mol, XLogP of 11.19, 27 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for (4-fluorophenyl) 4-[2-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-oxoethyl]piperazine-1-carboxylate;4-[2-[3-methyl-4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-oxoethyl]piperazin-2-one;1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-2-[4-(2-phenylbenzoyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 159382432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).