1-benzoyl-4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxypiperidine-4-carboxamide;4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-1-(cyclopropanecarbonyl)-N-hydroxypiperidine-4-carboxamide

C51H72N8O12S2 — CID 158127988

IUPAC1-benzoyl-4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxypiperidine-4-carboxamide;4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-1-(cyclopropanecarbonyl)-N-hydroxypiperidine-4-carboxamide
SMILESCCCCOc1ccc(N2CCN(S(=O)(=O)C3(C(=O)NO)CCN(C(=O)C4CC4)CC3)CC2)cc1.CCCCOc1ccc(N2CCN(S(=O)(=O)C3(C(=O)NO)CCN(C(=O)c4ccccc4)CC3)CC2)cc1
InChIInChI=1S/C27H36N4O6S.C24H36N4O6S/c1-2-3-21-37-24-11-9-23(10-12-24)29-17-19-31(20-18-29)38(35,36)27(26(33)28-34)13-15-30(16-14-27)25(32)22-7-5-4-6-8-22;1-2-3-18-34-21-8-6-20(7-9-21)26-14-16-28(17-15-26)35(32,33)24(23(30)25-31)10-12-27(13-11-24)22(29)19-4-5-19/h4-12,34H,2-3,13-21H2,1H3,(H,28,33);6-9,19,31H,2-5,10-18H2,1H3,(H,25,30)
InChIKeyFSKQGZDOZGRNKO-UHFFFAOYSA-N
MW1053.31 g/mol
LogP4.09
Rot. Bonds18

About 1-benzoyl-4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxypiperidine-4-carboxamide;4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-1-(cyclopropanecarbonyl)-N-hydroxypiperidine-4-carboxamide

1-benzoyl-4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxypiperidine-4-carboxamide;4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-1-(cyclopropanecarbonyl)-N-hydroxypiperidine-4-carboxamide (PubChem CID 158127988) has the molecular formula C51H72N8O12S2 and a molecular weight of 1053.31 g/mol. Its IUPAC name is 1-benzoyl-4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxypiperidine-4-carboxamide;4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-1-(cyclopropanecarbonyl)-N-hydroxypiperidine-4-carboxamide.

Molecular Properties

Compound Name1-benzoyl-4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxypiperidine-4-carboxamide;4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-1-(cyclopropanecarbonyl)-N-hydroxypiperidine-4-carboxamide
PubChem CID158127988
Molecular FormulaC51H72N8O12S2
Molecular Weight1053.31 g/mol
Exact Mass1052.47
IUPAC Name1-benzoyl-4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxypiperidine-4-carboxamide;4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-1-(cyclopropanecarbonyl)-N-hydroxypiperidine-4-carboxamide
SMILESCCCCOc1ccc(N2CCN(S(=O)(=O)C3(C(=O)NO)CCN(C(=O)C4CC4)CC3)CC2)cc1.CCCCOc1ccc(N2CCN(S(=O)(=O)C3(C(=O)NO)CCN(C(=O)c4ccccc4)CC3)CC2)cc1
InChIInChI=1S/C27H36N4O6S.C24H36N4O6S/c1-2-3-21-37-24-11-9-23(10-12-24)29-17-19-31(20-18-29)38(35,36)27(26(33)28-34)13-15-30(16-14-27)25(32)22-7-5-4-6-8-22;1-2-3-18-34-21-8-6-20(7-9-21)26-14-16-28(17-15-26)35(32,33)24(23(30)25-31)10-12-27(13-11-24)22(29)19-4-5-19/h4-12,34H,2-3,13-21H2,1H3,(H,28,33);6-9,19,31H,2-5,10-18H2,1H3,(H,25,30)
InChIKeyFSKQGZDOZGRNKO-UHFFFAOYSA-N
XLogP4.09
TPSA238.98 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds18
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001053.31
LogP ≤ 54.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', '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'}

Analyze 1-benzoyl-4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxypiperidine-4-carboxamide;4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-1-(cyclopropanecarbonyl)-N-hydroxypiperidine-4-carboxamide with MolForge

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Related Compounds

4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxy-1-(thiophene-2-carbonyl)piperidine-4-carboxamide;hydrochloride
CID 162326307
4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxy-1-(4-methylphenyl)piperidine-4-carboxamide
CID 21068872
4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-1-(dimethylcarbamothioyl)-N-hydroxypiperidine-4-carboxamide
CID 21068883
4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxyoxane-4-carboxamide;hydrochloride
CID 169423979
4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-4-N-hydroxy-1-N-(2-methoxyethyl)piperidine-1,4-dicarboxamide
CID 21068881
4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxy-1-(3,3,3-trifluoropropanoyl)piperidine-4-carboxamide;hydrochloride
CID 162337910
N-hydroxy-1-[4-(4-propoxyphenyl)piperazin-1-yl]sulfonylcyclopentane-1-carboxamide
CID 21068563
4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxy-1-(1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 21068879
4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxy-1-(1H-imidazol-2-ylmethyl)piperidine-4-carboxamide;dihydrochloride
CID 162332109
4-[4-[4-(4-fluorobutoxy)phenyl]piperazin-1-yl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide
CID 21068800
ethane;N-hydroxy-4-[4-[4-(4,4,4-trifluorobutoxy)phenyl]piperazin-1-yl]sulfonyloxane-4-carboxamide
CID 143045285
4-[[4-(4-butoxyphenyl)piperazin-1-yl]-methylidene-oxo-λ6-sulfanyl]-1-[2-(diethylamino)ethyl]-N-hydroxypiperidine-4-carboxamide
CID 142952315

Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxypiperidine-4-carboxamide;4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-1-(cyclopropanecarbonyl)-N-hydroxypiperidine-4-carboxamide?
The IUPAC name of 1-benzoyl-4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxypiperidine-4-carboxamide;4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-1-(cyclopropanecarbonyl)-N-hydroxypiperidine-4-carboxamide (CID 158127988) is 1-benzoyl-4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxypiperidine-4-carboxamide;4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-1-(cyclopropanecarbonyl)-N-hydroxypiperidine-4-carboxamide.
What is the SMILES notation for 1-benzoyl-4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxypiperidine-4-carboxamide;4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-1-(cyclopropanecarbonyl)-N-hydroxypiperidine-4-carboxamide?
The canonical SMILES for 1-benzoyl-4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxypiperidine-4-carboxamide;4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-1-(cyclopropanecarbonyl)-N-hydroxypiperidine-4-carboxamide is CCCCOc1ccc(N2CCN(S(=O)(=O)C3(C(=O)NO)CCN(C(=O)C4CC4)CC3)CC2)cc1.CCCCOc1ccc(N2CCN(S(=O)(=O)C3(C(=O)NO)CCN(C(=O)c4ccccc4)CC3)CC2)cc1.
What is the InChIKey of 1-benzoyl-4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxypiperidine-4-carboxamide;4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-1-(cyclopropanecarbonyl)-N-hydroxypiperidine-4-carboxamide?
The InChIKey is FSKQGZDOZGRNKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N4O6S.C24H36N4O6S/c1-2-3-21-37-24-11-9-23(10-12-24)29-17-19-31(20-18-29)38(35,36)27(26(33)28-34)13-15-30(16-14-27)25(32)22-7-5-4-6-8-22;1-2-3-18-34-21-8-6-20(7-9-21)26-14-16-28(17-15-26)35(32,33)24(23(30)25-31)10-12-27(13-11-24)22(29)19-4-5-19/h4-12,34H,2-3,13-21H2,1H3,(H,28,33);6-9,19,31H,2-5,10-18H2,1H3,(H,25,30).
What are the key properties of 1-benzoyl-4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxypiperidine-4-carboxamide;4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-1-(cyclopropanecarbonyl)-N-hydroxypiperidine-4-carboxamide?
1-benzoyl-4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxypiperidine-4-carboxamide;4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-1-(cyclopropanecarbonyl)-N-hydroxypiperidine-4-carboxamide has a molecular weight of 1053.31 g/mol, XLogP of 4.09, 18 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxypiperidine-4-carboxamide;4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-1-(cyclopropanecarbonyl)-N-hydroxypiperidine-4-carboxamide is sourced from PubChem (CID 158127988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).