(3R)-3-(cyclopentylmethyl)-4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-N-hydroxy-4-oxobutanamide;(3R)-3-(cyclopentylmethyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]-N-hydroxy-4-oxobutanamide

C40H55Cl2FN6O6 — CID 159115920

About (3R)-3-(cyclopentylmethyl)-4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-N-hydroxy-4-oxobutanamide;(3R)-3-(cyclopentylmethyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]-N-hydroxy-4-oxobutanamide

(3R)-3-(cyclopentylmethyl)-4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-N-hydroxy-4-oxobutanamide;(3R)-3-(cyclopentylmethyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]-N-hydroxy-4-oxobutanamide (PubChem CID 159115920) has the molecular formula C40H55Cl2FN6O6 and a molecular weight of 805.82 g/mol. Its IUPAC name is (3R)-3-(cyclopentylmethyl)-4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-N-hydroxy-4-oxobutanamide;(3R)-3-(cyclopentylmethyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]-N-hydroxy-4-oxobutanamide.

Molecular Properties

• Compound Name: (3R)-3-(cyclopentylmethyl)-4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-N-hydroxy-4-oxobutanamide;(3R)-3-(cyclopentylmethyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]-N-hydroxy-4-oxobutanamide
• PubChem CID: 159115920
• Molecular Formula: C40H55Cl2FN6O6
• Molecular Weight: 805.82 g/mol
• Exact Mass: 804.35
• IUPAC Name: (3R)-3-(cyclopentylmethyl)-4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-N-hydroxy-4-oxobutanamide;(3R)-3-(cyclopentylmethyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]-N-hydroxy-4-oxobutanamide
• SMILES: O=C(C[C@@H](CC1CCCC1)C(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1)NO.O=C(C[C@@H](CC1CCCC1)C(=O)N1CCN(c2ccc(F)cc2)CC1)NO
• InChI: InChI=1S/C20H27Cl2N3O3.C20H28FN3O3/c21-17-6-5-16(13-18(17)22)24-7-9-25(10-8-24)20(27)15(12-19(26)23-28)11-14-3-1-2-4-14;21-17-5-7-18(8-6-17)23-9-11-24(12-10-23)20(26)16(14-19(25)22-27)13-15-3-1-2-4-15/h5-6,13-15,28H,1-4,7-12H2,(H,23,26);5-8,15-16,27H,1-4,9-14H2,(H,22,25)/t15-;16-/m11/s1
• InChIKey: KFBSDGQRRMGMRZ-MHAOTKKNSA-N
• XLogP: 6.30
• TPSA: 145.76 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	805.82
LogP ≤ 5	6.30
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(cyclopentylmethyl)-4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-N-hydroxy-4-oxobutanamide;(3R)-3-(cyclopentylmethyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]-N-hydroxy-4-oxobutanamide?

The IUPAC name of (3R)-3-(cyclopentylmethyl)-4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-N-hydroxy-4-oxobutanamide;(3R)-3-(cyclopentylmethyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]-N-hydroxy-4-oxobutanamide (CID 159115920) is (3R)-3-(cyclopentylmethyl)-4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-N-hydroxy-4-oxobutanamide;(3R)-3-(cyclopentylmethyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]-N-hydroxy-4-oxobutanamide.

What is the SMILES notation for (3R)-3-(cyclopentylmethyl)-4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-N-hydroxy-4-oxobutanamide;(3R)-3-(cyclopentylmethyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]-N-hydroxy-4-oxobutanamide?

The canonical SMILES for (3R)-3-(cyclopentylmethyl)-4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-N-hydroxy-4-oxobutanamide;(3R)-3-(cyclopentylmethyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]-N-hydroxy-4-oxobutanamide is O=C(C[C@@H](CC1CCCC1)C(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1)NO.O=C(C[C@@H](CC1CCCC1)C(=O)N1CCN(c2ccc(F)cc2)CC1)NO.

What is the InChIKey of (3R)-3-(cyclopentylmethyl)-4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-N-hydroxy-4-oxobutanamide;(3R)-3-(cyclopentylmethyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]-N-hydroxy-4-oxobutanamide?

The InChIKey is KFBSDGQRRMGMRZ-MHAOTKKNSA-N. The full InChI is InChI=1S/C20H27Cl2N3O3.C20H28FN3O3/c21-17-6-5-16(13-18(17)22)24-7-9-25(10-8-24)20(27)15(12-19(26)23-28)11-14-3-1-2-4-14;21-17-5-7-18(8-6-17)23-9-11-24(12-10-23)20(26)16(14-19(25)22-27)13-15-3-1-2-4-15/h5-6,13-15,28H,1-4,7-12H2,(H,23,26);5-8,15-16,27H,1-4,9-14H2,(H,22,25)/t15-;16-/m11/s1.

What are the key properties of (3R)-3-(cyclopentylmethyl)-4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-N-hydroxy-4-oxobutanamide;(3R)-3-(cyclopentylmethyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]-N-hydroxy-4-oxobutanamide?

(3R)-3-(cyclopentylmethyl)-4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-N-hydroxy-4-oxobutanamide;(3R)-3-(cyclopentylmethyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]-N-hydroxy-4-oxobutanamide has a molecular weight of 805.82 g/mol, XLogP of 6.30, 12 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-3-(cyclopentylmethyl)-4-[4-(3,4-dichlorophenyl)piperazin-1-yl]-N-hydroxy-4-oxobutanamide;(3R)-3-(cyclopentylmethyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]-N-hydroxy-4-oxobutanamide is sourced from PubChem (CID 159115920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).