4-[4-(4-butoxyphenyl)piperidin-1-yl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide;4-[4-(4-butoxyphenyl)piperidin-1-yl]sulfonyl-N-hydroxy-1-(1H-pyrrol-2-ylmethyl)piperidine-4-carboxamide

C50H77N7O11S2 — CID 159472755

About 4-[4-(4-butoxyphenyl)piperidin-1-yl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide;4-[4-(4-butoxyphenyl)piperidin-1-yl]sulfonyl-N-hydroxy-1-(1H-pyrrol-2-ylmethyl)piperidine-4-carboxamide

4-[4-(4-butoxyphenyl)piperidin-1-yl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide;4-[4-(4-butoxyphenyl)piperidin-1-yl]sulfonyl-N-hydroxy-1-(1H-pyrrol-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 159472755) has the molecular formula C50H77N7O11S2 and a molecular weight of 1016.34 g/mol. Its IUPAC name is 4-[4-(4-butoxyphenyl)piperidin-1-yl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide;4-[4-(4-butoxyphenyl)piperidin-1-yl]sulfonyl-N-hydroxy-1-(1H-pyrrol-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 4-[4-(4-butoxyphenyl)piperidin-1-yl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide;4-[4-(4-butoxyphenyl)piperidin-1-yl]sulfonyl-N-hydroxy-1-(1H-pyrrol-2-ylmethyl)piperidine-4-carboxamide
• PubChem CID: 159472755
• Molecular Formula: C50H77N7O11S2
• Molecular Weight: 1016.34 g/mol
• Exact Mass: 1015.51
• IUPAC Name: 4-[4-(4-butoxyphenyl)piperidin-1-yl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide;4-[4-(4-butoxyphenyl)piperidin-1-yl]sulfonyl-N-hydroxy-1-(1H-pyrrol-2-ylmethyl)piperidine-4-carboxamide
• SMILES: CCCCOc1ccc(C2CCN(S(=O)(=O)C3(C(=O)NO)CCN(CCOC)CC3)CC2)cc1.CCCCOc1ccc(C2CCN(S(=O)(=O)C3(C(=O)NO)CCN(Cc4ccc[nH]4)CC3)CC2)cc1
• InChI: InChI=1S/C26H38N4O5S.C24H39N3O6S/c1-2-3-19-35-24-8-6-21(7-9-24)22-10-15-30(16-11-22)36(33,34)26(25(31)28-32)12-17-29(18-13-26)20-23-5-4-14-27-23;1-3-4-18-33-22-7-5-20(6-8-22)21-9-13-27(14-10-21)34(30,31)24(23(28)25-29)11-15-26(16-12-24)17-19-32-2/h4-9,14,22,27,32H,2-3,10-13,15-20H2,1H3,(H,28,31);5-8,21,29H,3-4,9-19H2,1-2H3,(H,25,28)
• InChIKey: LVZVEDXSMOFOEO-UHFFFAOYSA-N
• XLogP: 5.60
• TPSA: 223.38 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 13
• Rotatable Bonds: 21
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1016.34
LogP ≤ 5	5.60
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', '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-(4-butoxyphenyl)piperidin-1-yl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide;4-[4-(4-butoxyphenyl)piperidin-1-yl]sulfonyl-N-hydroxy-1-(1H-pyrrol-2-ylmethyl)piperidine-4-carboxamide?

The IUPAC name of 4-[4-(4-butoxyphenyl)piperidin-1-yl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide;4-[4-(4-butoxyphenyl)piperidin-1-yl]sulfonyl-N-hydroxy-1-(1H-pyrrol-2-ylmethyl)piperidine-4-carboxamide (CID 159472755) is 4-[4-(4-butoxyphenyl)piperidin-1-yl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide;4-[4-(4-butoxyphenyl)piperidin-1-yl]sulfonyl-N-hydroxy-1-(1H-pyrrol-2-ylmethyl)piperidine-4-carboxamide.

What is the SMILES notation for 4-[4-(4-butoxyphenyl)piperidin-1-yl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide;4-[4-(4-butoxyphenyl)piperidin-1-yl]sulfonyl-N-hydroxy-1-(1H-pyrrol-2-ylmethyl)piperidine-4-carboxamide?

The canonical SMILES for 4-[4-(4-butoxyphenyl)piperidin-1-yl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide;4-[4-(4-butoxyphenyl)piperidin-1-yl]sulfonyl-N-hydroxy-1-(1H-pyrrol-2-ylmethyl)piperidine-4-carboxamide is CCCCOc1ccc(C2CCN(S(=O)(=O)C3(C(=O)NO)CCN(CCOC)CC3)CC2)cc1.CCCCOc1ccc(C2CCN(S(=O)(=O)C3(C(=O)NO)CCN(Cc4ccc[nH]4)CC3)CC2)cc1.

What is the InChIKey of 4-[4-(4-butoxyphenyl)piperidin-1-yl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide;4-[4-(4-butoxyphenyl)piperidin-1-yl]sulfonyl-N-hydroxy-1-(1H-pyrrol-2-ylmethyl)piperidine-4-carboxamide?

The InChIKey is LVZVEDXSMOFOEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N4O5S.C24H39N3O6S/c1-2-3-19-35-24-8-6-21(7-9-24)22-10-15-30(16-11-22)36(33,34)26(25(31)28-32)12-17-29(18-13-26)20-23-5-4-14-27-23;1-3-4-18-33-22-7-5-20(6-8-22)21-9-13-27(14-10-21)34(30,31)24(23(28)25-29)11-15-26(16-12-24)17-19-32-2/h4-9,14,22,27,32H,2-3,10-13,15-20H2,1H3,(H,28,31);5-8,21,29H,3-4,9-19H2,1-2H3,(H,25,28).

What are the key properties of 4-[4-(4-butoxyphenyl)piperidin-1-yl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide;4-[4-(4-butoxyphenyl)piperidin-1-yl]sulfonyl-N-hydroxy-1-(1H-pyrrol-2-ylmethyl)piperidine-4-carboxamide?

4-[4-(4-butoxyphenyl)piperidin-1-yl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide;4-[4-(4-butoxyphenyl)piperidin-1-yl]sulfonyl-N-hydroxy-1-(1H-pyrrol-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 1016.34 g/mol, XLogP of 5.60, 21 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(4-butoxyphenyl)piperidin-1-yl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide;4-[4-(4-butoxyphenyl)piperidin-1-yl]sulfonyl-N-hydroxy-1-(1H-pyrrol-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 159472755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).