4-[4-[4-(4-cyanobutyl)phenyl]piperazin-1-yl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide

C24H37N5O5S — CID 21068797

About 4-[4-[4-(4-cyanobutyl)phenyl]piperazin-1-yl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide

4-[4-[4-(4-cyanobutyl)phenyl]piperazin-1-yl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide (PubChem CID 21068797) has the molecular formula C24H37N5O5S and a molecular weight of 507.66 g/mol. Its IUPAC name is 4-[4-[4-(4-cyanobutyl)phenyl]piperazin-1-yl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 4-[4-[4-(4-cyanobutyl)phenyl]piperazin-1-yl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide
• PubChem CID: 21068797
• Molecular Formula: C24H37N5O5S
• Molecular Weight: 507.66 g/mol
• Exact Mass: 507.25
• IUPAC Name: 4-[4-[4-(4-cyanobutyl)phenyl]piperazin-1-yl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide
• SMILES: COCCN1CCC(C(=O)NO)(S(=O)(=O)N2CCN(c3ccc(CCCCC#N)cc3)CC2)CC1
• InChI: InChI=1S/C24H37N5O5S/c1-34-20-19-27-13-10-24(11-14-27,23(30)26-31)35(32,33)29-17-15-28(16-18-29)22-8-6-21(7-9-22)5-3-2-4-12-25/h6-9,31H,2-5,10-11,13-20H2,1H3,(H,26,30)
• InChIKey: OSGFEYXXOAJKSG-UHFFFAOYSA-N
• XLogP: 1.36
• TPSA: 126.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	507.66
LogP ≤ 5	1.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'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-(4-cyanobutyl)phenyl]piperazin-1-yl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide?

The IUPAC name of 4-[4-[4-(4-cyanobutyl)phenyl]piperazin-1-yl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide (CID 21068797) is 4-[4-[4-(4-cyanobutyl)phenyl]piperazin-1-yl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide.

What is the SMILES notation for 4-[4-[4-(4-cyanobutyl)phenyl]piperazin-1-yl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide?

The canonical SMILES for 4-[4-[4-(4-cyanobutyl)phenyl]piperazin-1-yl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide is COCCN1CCC(C(=O)NO)(S(=O)(=O)N2CCN(c3ccc(CCCCC#N)cc3)CC2)CC1.

What is the InChIKey of 4-[4-[4-(4-cyanobutyl)phenyl]piperazin-1-yl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide?

The InChIKey is OSGFEYXXOAJKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N5O5S/c1-34-20-19-27-13-10-24(11-14-27,23(30)26-31)35(32,33)29-17-15-28(16-18-29)22-8-6-21(7-9-22)5-3-2-4-12-25/h6-9,31H,2-5,10-11,13-20H2,1H3,(H,26,30).

What are the key properties of 4-[4-[4-(4-cyanobutyl)phenyl]piperazin-1-yl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide?

4-[4-[4-(4-cyanobutyl)phenyl]piperazin-1-yl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide has a molecular weight of 507.66 g/mol, XLogP of 1.36, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[4-(4-cyanobutyl)phenyl]piperazin-1-yl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide is sourced from PubChem (CID 21068797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).