4-[4-(3-fluoro-4-propoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide;dihydrochloride

C22H37Cl2FN4O6S — CID 162334316

About 4-[4-(3-fluoro-4-propoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide;dihydrochloride

4-[4-(3-fluoro-4-propoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide;dihydrochloride (PubChem CID 162334316) has the molecular formula C22H37Cl2FN4O6S and a molecular weight of 575.53 g/mol. Its IUPAC name is 4-[4-(3-fluoro-4-propoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide;dihydrochloride.

Molecular Properties

• Compound Name: 4-[4-(3-fluoro-4-propoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide;dihydrochloride
• PubChem CID: 162334316
• Molecular Formula: C22H37Cl2FN4O6S
• Molecular Weight: 575.53 g/mol
• Exact Mass: 574.18
• IUPAC Name: 4-[4-(3-fluoro-4-propoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide;dihydrochloride
• SMILES: CCCOc1ccc(N2CCN(S(=O)(=O)C3(C(=O)NO)CCN(CCOC)CC3)CC2)cc1F.Cl.Cl
• InChI: InChI=1S/C22H35FN4O6S.2ClH/c1-3-15-33-20-5-4-18(17-19(20)23)26-10-12-27(13-11-26)34(30,31)22(21(28)24-29)6-8-25(9-7-22)14-16-32-2;;/h4-5,17,29H,3,6-16H2,1-2H3,(H,24,28);2*1H
• InChIKey: OSCOKMMOALDUNN-UHFFFAOYSA-N
• XLogP: 1.90
• TPSA: 111.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	575.53
LogP ≤ 5	1.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'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 4-[4-(3-fluoro-4-propoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide;dihydrochloride?

The IUPAC name of 4-[4-(3-fluoro-4-propoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide;dihydrochloride (CID 162334316) is 4-[4-(3-fluoro-4-propoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide;dihydrochloride.

What is the SMILES notation for 4-[4-(3-fluoro-4-propoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide;dihydrochloride?

The canonical SMILES for 4-[4-(3-fluoro-4-propoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide;dihydrochloride is CCCOc1ccc(N2CCN(S(=O)(=O)C3(C(=O)NO)CCN(CCOC)CC3)CC2)cc1F.Cl.Cl.

What is the InChIKey of 4-[4-(3-fluoro-4-propoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide;dihydrochloride?

The InChIKey is OSCOKMMOALDUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35FN4O6S.2ClH/c1-3-15-33-20-5-4-18(17-19(20)23)26-10-12-27(13-11-26)34(30,31)22(21(28)24-29)6-8-25(9-7-22)14-16-32-2;;/h4-5,17,29H,3,6-16H2,1-2H3,(H,24,28);2*1H.

What are the key properties of 4-[4-(3-fluoro-4-propoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide;dihydrochloride?

4-[4-(3-fluoro-4-propoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide;dihydrochloride has a molecular weight of 575.53 g/mol, XLogP of 1.90, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(3-fluoro-4-propoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 162334316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).