4-cyclopropyl-5-[2-[4-[2-[4-(1,2,4-triazol-1-yl)phenyl]acetyl]piperazin-1-yl]ethyl]-3H-2-benzofuran-1-one;4-ethyl-5-[2-[4-[2-[4-(1,2,4-triazol-1-yl)phenyl]acetyl]piperazin-1-yl]ethyl]-3H-2-benzofuran-1-one;5-[2-[4-[2-[4-(1,2,4-triazol-1-yl)phenyl]acetyl]piperazin-1-yl]ethyl]-4-(trifluoromethyl)-3H-2-benzofuran-1-one;5-[2-[4-[2-[4-(1,2,4-triazol-1-yl)phenyl]acetyl]piperazin-1-yl]ethyl]-6-(trifluoromethyl)-3H-2-benzofuran-1-one

C103H106F6N20O12 — CID 160575638

About 4-cyclopropyl-5-[2-[4-[2-[4-(1,2,4-triazol-1-yl)phenyl]acetyl]piperazin-1-yl]ethyl]-3H-2-benzofuran-1-one;4-ethyl-5-[2-[4-[2-[4-(1,2,4-triazol-1-yl)phenyl]acetyl]piperazin-1-yl]ethyl]-3H-2-benzofuran-1-one;5-[2-[4-[2-[4-(1,2,4-triazol-1-yl)phenyl]acetyl]piperazin-1-yl]ethyl]-4-(trifluoromethyl)-3H-2-benzofuran-1-one;5-[2-[4-[2-[4-(1,2,4-triazol-1-yl)phenyl]acetyl]piperazin-1-yl]ethyl]-6-(trifluoromethyl)-3H-2-benzofuran-1-one

4-cyclopropyl-5-[2-[4-[2-[4-(1,2,4-triazol-1-yl)phenyl]acetyl]piperazin-1-yl]ethyl]-3H-2-benzofuran-1-one;4-ethyl-5-[2-[4-[2-[4-(1,2,4-triazol-1-yl)phenyl]acetyl]piperazin-1-yl]ethyl]-3H-2-benzofuran-1-one;5-[2-[4-[2-[4-(1,2,4-triazol-1-yl)phenyl]acetyl]piperazin-1-yl]ethyl]-4-(trifluoromethyl)-3H-2-benzofuran-1-one;5-[2-[4-[2-[4-(1,2,4-triazol-1-yl)phenyl]acetyl]piperazin-1-yl]ethyl]-6-(trifluoromethyl)-3H-2-benzofuran-1-one (PubChem CID 160575638) has the molecular formula C103H106F6N20O12 and a molecular weight of 1930.10 g/mol. Its IUPAC name is 4-cyclopropyl-5-[2-[4-[2-[4-(1,2,4-triazol-1-yl)phenyl]acetyl]piperazin-1-yl]ethyl]-3H-2-benzofuran-1-one;4-ethyl-5-[2-[4-[2-[4-(1,2,4-triazol-1-yl)phenyl]acetyl]piperazin-1-yl]ethyl]-3H-2-benzofuran-1-one;5-[2-[4-[2-[4-(1,2,4-triazol-1-yl)phenyl]acetyl]piperazin-1-yl]ethyl]-4-(trifluoromethyl)-3H-2-benzofuran-1-one;5-[2-[4-[2-[4-(1,2,4-triazol-1-yl)phenyl]acetyl]piperazin-1-yl]ethyl]-6-(trifluoromethyl)-3H-2-benzofuran-1-one.

Molecular Properties

• Compound Name: 4-cyclopropyl-5-[2-[4-[2-[4-(1,2,4-triazol-1-yl)phenyl]acetyl]piperazin-1-yl]ethyl]-3H-2-benzofuran-1-one;4-ethyl-5-[2-[4-[2-[4-(1,2,4-triazol-1-yl)phenyl]acetyl]piperazin-1-yl]ethyl]-3H-2-benzofuran-1-one;5-[2-[4-[2-[4-(1,2,4-triazol-1-yl)phenyl]acetyl]piperazin-1-yl]ethyl]-4-(trifluoromethyl)-3H-2-benzofuran-1-one;5-[2-[4-[2-[4-(1,2,4-triazol-1-yl)phenyl]acetyl]piperazin-1-yl]ethyl]-6-(trifluoromethyl)-3H-2-benzofuran-1-one
• PubChem CID: 160575638
• Molecular Formula: C103H106F6N20O12
• Molecular Weight: 1930.10 g/mol
• Exact Mass: 1928.82
• IUPAC Name: 4-cyclopropyl-5-[2-[4-[2-[4-(1,2,4-triazol-1-yl)phenyl]acetyl]piperazin-1-yl]ethyl]-3H-2-benzofuran-1-one;4-ethyl-5-[2-[4-[2-[4-(1,2,4-triazol-1-yl)phenyl]acetyl]piperazin-1-yl]ethyl]-3H-2-benzofuran-1-one;5-[2-[4-[2-[4-(1,2,4-triazol-1-yl)phenyl]acetyl]piperazin-1-yl]ethyl]-4-(trifluoromethyl)-3H-2-benzofuran-1-one;5-[2-[4-[2-[4-(1,2,4-triazol-1-yl)phenyl]acetyl]piperazin-1-yl]ethyl]-6-(trifluoromethyl)-3H-2-benzofuran-1-one
• SMILES: CCc1c(CCN2CCN(C(=O)Cc3ccc(-n4cncn4)cc3)CC2)ccc2c1COC2=O.O=C1OCc2c1ccc(CCN1CCN(C(=O)Cc3ccc(-n4cncn4)cc3)CC1)c2C(F)(F)F.O=C1OCc2c1ccc(CCN1CCN(C(=O)Cc3ccc(-n4cncn4)cc3)CC1)c2C1CC1.O=C1OCc2cc(CCN3CCN(C(=O)Cc4ccc(-n5cncn5)cc4)CC3)c(C(F)(F)F)cc21
• InChI: InChI=1S/C27H29N5O3.C26H29N5O3.2C25H24F3N5O3/c33-25(15-19-1-6-22(7-2-19)32-18-28-17-29-32)31-13-11-30(12-14-31)10-9-21-5-8-23-24(16-35-27(23)34)26(21)20-3-4-20;1-2-22-20(5-8-23-24(22)16-34-26(23)33)9-10-29-11-13-30(14-12-29)25(32)15-19-3-6-21(7-4-19)31-18-27-17-28-31;26-25(27,28)23-18(3-6-20-21(23)14-36-24(20)35)7-8-31-9-11-32(12-10-31)22(34)13-17-1-4-19(5-2-17)33-16-29-15-30-33;26-25(27,28)22-13-21-19(14-36-24(21)35)12-18(22)5-6-31-7-9-32(10-8-31)23(34)11-17-1-3-20(4-2-17)33-16-29-15-30-33/h1-2,5-8,17-18,20H,3-4,9-16H2;3-8,17-18H,2,9-16H2,1H3;1-6,15-16H,7-14H2;1-4,12-13,15-16H,5-11,14H2
• InChIKey: RBCNBPQHCKENNB-UHFFFAOYSA-N
• XLogP: 10.95
• TPSA: 322.24 Ų
• H-Bond Acceptors: 28
• Rotatable Bonds: 26
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1930.10
LogP ≤ 5	10.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-5-[2-[4-[2-[4-(1,2,4-triazol-1-yl)phenyl]acetyl]piperazin-1-yl]ethyl]-3H-2-benzofuran-1-one;4-ethyl-5-[2-[4-[2-[4-(1,2,4-triazol-1-yl)phenyl]acetyl]piperazin-1-yl]ethyl]-3H-2-benzofuran-1-one;5-[2-[4-[2-[4-(1,2,4-triazol-1-yl)phenyl]acetyl]piperazin-1-yl]ethyl]-4-(trifluoromethyl)-3H-2-benzofuran-1-one;5-[2-[4-[2-[4-(1,2,4-triazol-1-yl)phenyl]acetyl]piperazin-1-yl]ethyl]-6-(trifluoromethyl)-3H-2-benzofuran-1-one?

The IUPAC name of 4-cyclopropyl-5-[2-[4-[2-[4-(1,2,4-triazol-1-yl)phenyl]acetyl]piperazin-1-yl]ethyl]-3H-2-benzofuran-1-one;4-ethyl-5-[2-[4-[2-[4-(1,2,4-triazol-1-yl)phenyl]acetyl]piperazin-1-yl]ethyl]-3H-2-benzofuran-1-one;5-[2-[4-[2-[4-(1,2,4-triazol-1-yl)phenyl]acetyl]piperazin-1-yl]ethyl]-4-(trifluoromethyl)-3H-2-benzofuran-1-one;5-[2-[4-[2-[4-(1,2,4-triazol-1-yl)phenyl]acetyl]piperazin-1-yl]ethyl]-6-(trifluoromethyl)-3H-2-benzofuran-1-one (CID 160575638) is 4-cyclopropyl-5-[2-[4-[2-[4-(1,2,4-triazol-1-yl)phenyl]acetyl]piperazin-1-yl]ethyl]-3H-2-benzofuran-1-one;4-ethyl-5-[2-[4-[2-[4-(1,2,4-triazol-1-yl)phenyl]acetyl]piperazin-1-yl]ethyl]-3H-2-benzofuran-1-one;5-[2-[4-[2-[4-(1,2,4-triazol-1-yl)phenyl]acetyl]piperazin-1-yl]ethyl]-4-(trifluoromethyl)-3H-2-benzofuran-1-one;5-[2-[4-[2-[4-(1,2,4-triazol-1-yl)phenyl]acetyl]piperazin-1-yl]ethyl]-6-(trifluoromethyl)-3H-2-benzofuran-1-one.

What is the SMILES notation for 4-cyclopropyl-5-[2-[4-[2-[4-(1,2,4-triazol-1-yl)phenyl]acetyl]piperazin-1-yl]ethyl]-3H-2-benzofuran-1-one;4-ethyl-5-[2-[4-[2-[4-(1,2,4-triazol-1-yl)phenyl]acetyl]piperazin-1-yl]ethyl]-3H-2-benzofuran-1-one;5-[2-[4-[2-[4-(1,2,4-triazol-1-yl)phenyl]acetyl]piperazin-1-yl]ethyl]-4-(trifluoromethyl)-3H-2-benzofuran-1-one;5-[2-[4-[2-[4-(1,2,4-triazol-1-yl)phenyl]acetyl]piperazin-1-yl]ethyl]-6-(trifluoromethyl)-3H-2-benzofuran-1-one?

The canonical SMILES for 4-cyclopropyl-5-[2-[4-[2-[4-(1,2,4-triazol-1-yl)phenyl]acetyl]piperazin-1-yl]ethyl]-3H-2-benzofuran-1-one;4-ethyl-5-[2-[4-[2-[4-(1,2,4-triazol-1-yl)phenyl]acetyl]piperazin-1-yl]ethyl]-3H-2-benzofuran-1-one;5-[2-[4-[2-[4-(1,2,4-triazol-1-yl)phenyl]acetyl]piperazin-1-yl]ethyl]-4-(trifluoromethyl)-3H-2-benzofuran-1-one;5-[2-[4-[2-[4-(1,2,4-triazol-1-yl)phenyl]acetyl]piperazin-1-yl]ethyl]-6-(trifluoromethyl)-3H-2-benzofuran-1-one is CCc1c(CCN2CCN(C(=O)Cc3ccc(-n4cncn4)cc3)CC2)ccc2c1COC2=O.O=C1OCc2c1ccc(CCN1CCN(C(=O)Cc3ccc(-n4cncn4)cc3)CC1)c2C(F)(F)F.O=C1OCc2c1ccc(CCN1CCN(C(=O)Cc3ccc(-n4cncn4)cc3)CC1)c2C1CC1.O=C1OCc2cc(CCN3CCN(C(=O)Cc4ccc(-n5cncn5)cc4)CC3)c(C(F)(F)F)cc21.

What is the InChIKey of 4-cyclopropyl-5-[2-[4-[2-[4-(1,2,4-triazol-1-yl)phenyl]acetyl]piperazin-1-yl]ethyl]-3H-2-benzofuran-1-one;4-ethyl-5-[2-[4-[2-[4-(1,2,4-triazol-1-yl)phenyl]acetyl]piperazin-1-yl]ethyl]-3H-2-benzofuran-1-one;5-[2-[4-[2-[4-(1,2,4-triazol-1-yl)phenyl]acetyl]piperazin-1-yl]ethyl]-4-(trifluoromethyl)-3H-2-benzofuran-1-one;5-[2-[4-[2-[4-(1,2,4-triazol-1-yl)phenyl]acetyl]piperazin-1-yl]ethyl]-6-(trifluoromethyl)-3H-2-benzofuran-1-one?

The InChIKey is RBCNBPQHCKENNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O3.C26H29N5O3.2C25H24F3N5O3/c33-25(15-19-1-6-22(7-2-19)32-18-28-17-29-32)31-13-11-30(12-14-31)10-9-21-5-8-23-24(16-35-27(23)34)26(21)20-3-4-20;1-2-22-20(5-8-23-24(22)16-34-26(23)33)9-10-29-11-13-30(14-12-29)25(32)15-19-3-6-21(7-4-19)31-18-27-17-28-31;26-25(27,28)23-18(3-6-20-21(23)14-36-24(20)35)7-8-31-9-11-32(12-10-31)22(34)13-17-1-4-19(5-2-17)33-16-29-15-30-33;26-25(27,28)22-13-21-19(14-36-24(21)35)12-18(22)5-6-31-7-9-32(10-8-31)23(34)11-17-1-3-20(4-2-17)33-16-29-15-30-33/h1-2,5-8,17-18,20H,3-4,9-16H2;3-8,17-18H,2,9-16H2,1H3;1-6,15-16H,7-14H2;1-4,12-13,15-16H,5-11,14H2.

What are the key properties of 4-cyclopropyl-5-[2-[4-[2-[4-(1,2,4-triazol-1-yl)phenyl]acetyl]piperazin-1-yl]ethyl]-3H-2-benzofuran-1-one;4-ethyl-5-[2-[4-[2-[4-(1,2,4-triazol-1-yl)phenyl]acetyl]piperazin-1-yl]ethyl]-3H-2-benzofuran-1-one;5-[2-[4-[2-[4-(1,2,4-triazol-1-yl)phenyl]acetyl]piperazin-1-yl]ethyl]-4-(trifluoromethyl)-3H-2-benzofuran-1-one;5-[2-[4-[2-[4-(1,2,4-triazol-1-yl)phenyl]acetyl]piperazin-1-yl]ethyl]-6-(trifluoromethyl)-3H-2-benzofuran-1-one?

4-cyclopropyl-5-[2-[4-[2-[4-(1,2,4-triazol-1-yl)phenyl]acetyl]piperazin-1-yl]ethyl]-3H-2-benzofuran-1-one;4-ethyl-5-[2-[4-[2-[4-(1,2,4-triazol-1-yl)phenyl]acetyl]piperazin-1-yl]ethyl]-3H-2-benzofuran-1-one;5-[2-[4-[2-[4-(1,2,4-triazol-1-yl)phenyl]acetyl]piperazin-1-yl]ethyl]-4-(trifluoromethyl)-3H-2-benzofuran-1-one;5-[2-[4-[2-[4-(1,2,4-triazol-1-yl)phenyl]acetyl]piperazin-1-yl]ethyl]-6-(trifluoromethyl)-3H-2-benzofuran-1-one has a molecular weight of 1930.10 g/mol, XLogP of 10.95, 26 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 4-cyclopropyl-5-[2-[4-[2-[4-(1,2,4-triazol-1-yl)phenyl]acetyl]piperazin-1-yl]ethyl]-3H-2-benzofuran-1-one;4-ethyl-5-[2-[4-[2-[4-(1,2,4-triazol-1-yl)phenyl]acetyl]piperazin-1-yl]ethyl]-3H-2-benzofuran-1-one;5-[2-[4-[2-[4-(1,2,4-triazol-1-yl)phenyl]acetyl]piperazin-1-yl]ethyl]-4-(trifluoromethyl)-3H-2-benzofuran-1-one;5-[2-[4-[2-[4-(1,2,4-triazol-1-yl)phenyl]acetyl]piperazin-1-yl]ethyl]-6-(trifluoromethyl)-3H-2-benzofuran-1-one is sourced from PubChem (CID 160575638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).