1-acetyl-N-hydroxy-4-[4-(4-pentylphenyl)piperazin-1-yl]sulfonylpiperidine-4-carboxamide;4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-1-N-tert-butyl-4-N-hydroxypiperidine-1,4-dicarboxamide;4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-1-[2-(diethylamino)ethyl]-N-hydroxypiperidine-4-carboxamide;4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxy-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide;N-hydroxy-1-methylsulfonyl-4-[4-(4-pentylphenyl)piperazin-1-yl]sulfonylpiperidine-4-carboxamide;hexahydrochloride

C121H203Cl6N23O28S6 — CID 159395450

IUPAC1-acetyl-N-hydroxy-4-[4-(4-pentylphenyl)piperazin-1-yl]sulfonylpiperidine-4-carboxamide;4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-1-N-tert-butyl-4-N-hydroxypiperidine-1,4-dicarboxamide;4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-1-[2-(diethylamino)ethyl]-N-hydroxypiperidine-4-carboxamide;4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxy-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide;N-hydroxy-1-methylsulfonyl-4-[4-(4-pentylphenyl)piperazin-1-yl]sulfonylpiperidine-4-carboxamide;hexahydrochloride
SMILESCCCCCc1ccc(N2CCN(S(=O)(=O)C3(C(=O)NO)CCN(C(C)=O)CC3)CC2)cc1.CCCCCc1ccc(N2CCN(S(=O)(=O)C3(C(=O)NO)CCN(S(C)(=O)=O)CC3)CC2)cc1.CCCCOc1ccc(N2CCN(S(=O)(=O)C3(C(=O)NO)CCN(C(=O)N4CCCC4)CC3)CC2)cc1.CCCCOc1ccc(N2CCN(S(=O)(=O)C3(C(=O)NO)CCN(C(=O)NC(C)(C)C)CC3)CC2)cc1.CCCCOc1ccc(N2CCN(S(=O)(=O)C3(C(=O)NO)CCN(CCN(CC)CC)CC3)CC2)cc1.Cl.Cl.Cl.Cl.Cl.Cl
InChIInChI=1S/C26H45N5O5S.C25H39N5O6S.C25H41N5O6S.C23H36N4O5S.C22H36N4O6S2.6ClH/c1-4-7-22-36-24-10-8-23(9-11-24)30-18-20-31(21-19-30)37(34,35)26(25(32)27-33)12-14-29(15-13-26)17-16-28(5-2)6-3;1-2-3-20-36-22-8-6-21(7-9-22)27-16-18-30(19-17-27)37(34,35)25(23(31)26-33)10-14-29(15-11-25)24(32)28-12-4-5-13-28;1-5-6-19-36-21-9-7-20(8-10-21)28-15-17-30(18-16-28)37(34,35)25(22(31)27-33)11-13-29(14-12-25)23(32)26-24(2,3)4;1-3-4-5-6-20-7-9-21(10-8-20)26-15-17-27(18-16-26)33(31,32)23(22(29)24-30)11-13-25(14-12-23)19(2)28;1-3-4-5-6-19-7-9-20(10-8-19)24-15-17-26(18-16-24)34(31,32)22(21(27)23-28)11-13-25(14-12-22)33(2,29)30;;;;;;/h8-11,33H,4-7,12-22H2,1-3H3,(H,27,32);6-9,33H,2-5,10-20H2,1H3,(H,26,31);7-10,33H,5-6,11-19H2,1-4H3,(H,26,32)(H,27,31);7-10,30H,3-6,11-18H2,1-2H3,(H,24,29);7-10,28H,3-6,11-18H2,1-2H3,(H,23,27);6*1H
InChIKeyQWESKUZLHHDASG-UHFFFAOYSA-N
MW2833.21 g/mol
LogP11.50
Rot. Bonds46

About 1-acetyl-N-hydroxy-4-[4-(4-pentylphenyl)piperazin-1-yl]sulfonylpiperidine-4-carboxamide;4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-1-N-tert-butyl-4-N-hydroxypiperidine-1,4-dicarboxamide;4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-1-[2-(diethylamino)ethyl]-N-hydroxypiperidine-4-carboxamide;4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxy-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide;N-hydroxy-1-methylsulfonyl-4-[4-(4-pentylphenyl)piperazin-1-yl]sulfonylpiperidine-4-carboxamide;hexahydrochloride

1-acetyl-N-hydroxy-4-[4-(4-pentylphenyl)piperazin-1-yl]sulfonylpiperidine-4-carboxamide;4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-1-N-tert-butyl-4-N-hydroxypiperidine-1,4-dicarboxamide;4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-1-[2-(diethylamino)ethyl]-N-hydroxypiperidine-4-carboxamide;4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxy-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide;N-hydroxy-1-methylsulfonyl-4-[4-(4-pentylphenyl)piperazin-1-yl]sulfonylpiperidine-4-carboxamide;hexahydrochloride (PubChem CID 159395450) has the molecular formula C121H203Cl6N23O28S6 and a molecular weight of 2833.21 g/mol. Its IUPAC name is 1-acetyl-N-hydroxy-4-[4-(4-pentylphenyl)piperazin-1-yl]sulfonylpiperidine-4-carboxamide;4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-1-N-tert-butyl-4-N-hydroxypiperidine-1,4-dicarboxamide;4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-1-[2-(diethylamino)ethyl]-N-hydroxypiperidine-4-carboxamide;4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxy-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide;N-hydroxy-1-methylsulfonyl-4-[4-(4-pentylphenyl)piperazin-1-yl]sulfonylpiperidine-4-carboxamide;hexahydrochloride.

Molecular Properties

Compound Name1-acetyl-N-hydroxy-4-[4-(4-pentylphenyl)piperazin-1-yl]sulfonylpiperidine-4-carboxamide;4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-1-N-tert-butyl-4-N-hydroxypiperidine-1,4-dicarboxamide;4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-1-[2-(diethylamino)ethyl]-N-hydroxypiperidine-4-carboxamide;4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxy-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide;N-hydroxy-1-methylsulfonyl-4-[4-(4-pentylphenyl)piperazin-1-yl]sulfonylpiperidine-4-carboxamide;hexahydrochloride
PubChem CID159395450
Molecular FormulaC121H203Cl6N23O28S6
Molecular Weight2833.21 g/mol
Exact Mass2828.16
IUPAC Name1-acetyl-N-hydroxy-4-[4-(4-pentylphenyl)piperazin-1-yl]sulfonylpiperidine-4-carboxamide;4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-1-N-tert-butyl-4-N-hydroxypiperidine-1,4-dicarboxamide;4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-1-[2-(diethylamino)ethyl]-N-hydroxypiperidine-4-carboxamide;4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxy-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide;N-hydroxy-1-methylsulfonyl-4-[4-(4-pentylphenyl)piperazin-1-yl]sulfonylpiperidine-4-carboxamide;hexahydrochloride
SMILESCCCCCc1ccc(N2CCN(S(=O)(=O)C3(C(=O)NO)CCN(C(C)=O)CC3)CC2)cc1.CCCCCc1ccc(N2CCN(S(=O)(=O)C3(C(=O)NO)CCN(S(C)(=O)=O)CC3)CC2)cc1.CCCCOc1ccc(N2CCN(S(=O)(=O)C3(C(=O)NO)CCN(C(=O)N4CCCC4)CC3)CC2)cc1.CCCCOc1ccc(N2CCN(S(=O)(=O)C3(C(=O)NO)CCN(C(=O)NC(C)(C)C)CC3)CC2)cc1.CCCCOc1ccc(N2CCN(S(=O)(=O)C3(C(=O)NO)CCN(CCN(CC)CC)CC3)CC2)cc1.Cl.Cl.Cl.Cl.Cl.Cl
InChIInChI=1S/C26H45N5O5S.C25H39N5O6S.C25H41N5O6S.C23H36N4O5S.C22H36N4O6S2.6ClH/c1-4-7-22-36-24-10-8-23(9-11-24)30-18-20-31(21-19-30)37(34,35)26(25(32)27-33)12-14-29(15-13-26)17-16-28(5-2)6-3;1-2-3-20-36-22-8-6-21(7-9-22)27-16-18-30(19-17-27)37(34,35)25(23(31)26-33)10-14-29(15-11-25)24(32)28-12-4-5-13-28;1-5-6-19-36-21-9-7-20(8-10-21)28-15-17-30(18-16-28)37(34,35)25(22(31)27-33)11-13-29(14-12-25)23(32)26-24(2,3)4;1-3-4-5-6-20-7-9-21(10-8-20)26-15-17-27(18-16-26)33(31,32)23(22(29)24-30)11-13-25(14-12-23)19(2)28;1-3-4-5-6-19-7-9-20(10-8-19)24-15-17-26(18-16-24)34(31,32)22(21(27)23-28)11-13-25(14-12-22)33(2,29)30;;;;;;/h8-11,33H,4-7,12-22H2,1-3H3,(H,27,32);6-9,33H,2-5,10-20H2,1H3,(H,26,31);7-10,33H,5-6,11-19H2,1-4H3,(H,26,32)(H,27,31);7-10,30H,3-6,11-18H2,1-2H3,(H,24,29);7-10,28H,3-6,11-18H2,1-2H3,(H,23,27);6*1H
InChIKeyQWESKUZLHHDASG-UHFFFAOYSA-N
XLogP11.50
TPSA597.50 Ų
H-Bond Donors11
H-Bond Acceptors35
Rotatable Bonds46
Heavy Atoms184
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002833.21
LogP ≤ 511.50
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'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'}

Analyze 1-acetyl-N-hydroxy-4-[4-(4-pentylphenyl)piperazin-1-yl]sulfonylpiperidine-4-carboxamide;4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-1-N-tert-butyl-4-N-hydroxypiperidine-1,4-dicarboxamide;4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-1-[2-(diethylamino)ethyl]-N-hydroxypiperidine-4-carboxamide;4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxy-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide;N-hydroxy-1-methylsulfonyl-4-[4-(4-pentylphenyl)piperazin-1-yl]sulfonylpiperidine-4-carboxamide;hexahydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-hydroxy-4-[4-(4-pentylphenyl)piperazin-1-yl]sulfonylpiperidine-4-carboxamide;4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-1-N-tert-butyl-4-N-hydroxypiperidine-1,4-dicarboxamide;4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-1-[2-(diethylamino)ethyl]-N-hydroxypiperidine-4-carboxamide;4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxy-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide;N-hydroxy-1-methylsulfonyl-4-[4-(4-pentylphenyl)piperazin-1-yl]sulfonylpiperidine-4-carboxamide;hexahydrochloride?
The IUPAC name of 1-acetyl-N-hydroxy-4-[4-(4-pentylphenyl)piperazin-1-yl]sulfonylpiperidine-4-carboxamide;4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-1-N-tert-butyl-4-N-hydroxypiperidine-1,4-dicarboxamide;4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-1-[2-(diethylamino)ethyl]-N-hydroxypiperidine-4-carboxamide;4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxy-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide;N-hydroxy-1-methylsulfonyl-4-[4-(4-pentylphenyl)piperazin-1-yl]sulfonylpiperidine-4-carboxamide;hexahydrochloride (CID 159395450) is 1-acetyl-N-hydroxy-4-[4-(4-pentylphenyl)piperazin-1-yl]sulfonylpiperidine-4-carboxamide;4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-1-N-tert-butyl-4-N-hydroxypiperidine-1,4-dicarboxamide;4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-1-[2-(diethylamino)ethyl]-N-hydroxypiperidine-4-carboxamide;4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxy-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide;N-hydroxy-1-methylsulfonyl-4-[4-(4-pentylphenyl)piperazin-1-yl]sulfonylpiperidine-4-carboxamide;hexahydrochloride.
What is the SMILES notation for 1-acetyl-N-hydroxy-4-[4-(4-pentylphenyl)piperazin-1-yl]sulfonylpiperidine-4-carboxamide;4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-1-N-tert-butyl-4-N-hydroxypiperidine-1,4-dicarboxamide;4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-1-[2-(diethylamino)ethyl]-N-hydroxypiperidine-4-carboxamide;4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxy-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide;N-hydroxy-1-methylsulfonyl-4-[4-(4-pentylphenyl)piperazin-1-yl]sulfonylpiperidine-4-carboxamide;hexahydrochloride?
The canonical SMILES for 1-acetyl-N-hydroxy-4-[4-(4-pentylphenyl)piperazin-1-yl]sulfonylpiperidine-4-carboxamide;4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-1-N-tert-butyl-4-N-hydroxypiperidine-1,4-dicarboxamide;4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-1-[2-(diethylamino)ethyl]-N-hydroxypiperidine-4-carboxamide;4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxy-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide;N-hydroxy-1-methylsulfonyl-4-[4-(4-pentylphenyl)piperazin-1-yl]sulfonylpiperidine-4-carboxamide;hexahydrochloride is CCCCCc1ccc(N2CCN(S(=O)(=O)C3(C(=O)NO)CCN(C(C)=O)CC3)CC2)cc1.CCCCCc1ccc(N2CCN(S(=O)(=O)C3(C(=O)NO)CCN(S(C)(=O)=O)CC3)CC2)cc1.CCCCOc1ccc(N2CCN(S(=O)(=O)C3(C(=O)NO)CCN(C(=O)N4CCCC4)CC3)CC2)cc1.CCCCOc1ccc(N2CCN(S(=O)(=O)C3(C(=O)NO)CCN(C(=O)NC(C)(C)C)CC3)CC2)cc1.CCCCOc1ccc(N2CCN(S(=O)(=O)C3(C(=O)NO)CCN(CCN(CC)CC)CC3)CC2)cc1.Cl.Cl.Cl.Cl.Cl.Cl.
What is the InChIKey of 1-acetyl-N-hydroxy-4-[4-(4-pentylphenyl)piperazin-1-yl]sulfonylpiperidine-4-carboxamide;4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-1-N-tert-butyl-4-N-hydroxypiperidine-1,4-dicarboxamide;4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-1-[2-(diethylamino)ethyl]-N-hydroxypiperidine-4-carboxamide;4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxy-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide;N-hydroxy-1-methylsulfonyl-4-[4-(4-pentylphenyl)piperazin-1-yl]sulfonylpiperidine-4-carboxamide;hexahydrochloride?
The InChIKey is QWESKUZLHHDASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H45N5O5S.C25H39N5O6S.C25H41N5O6S.C23H36N4O5S.C22H36N4O6S2.6ClH/c1-4-7-22-36-24-10-8-23(9-11-24)30-18-20-31(21-19-30)37(34,35)26(25(32)27-33)12-14-29(15-13-26)17-16-28(5-2)6-3;1-2-3-20-36-22-8-6-21(7-9-22)27-16-18-30(19-17-27)37(34,35)25(23(31)26-33)10-14-29(15-11-25)24(32)28-12-4-5-13-28;1-5-6-19-36-21-9-7-20(8-10-21)28-15-17-30(18-16-28)37(34,35)25(22(31)27-33)11-13-29(14-12-25)23(32)26-24(2,3)4;1-3-4-5-6-20-7-9-21(10-8-20)26-15-17-27(18-16-26)33(31,32)23(22(29)24-30)11-13-25(14-12-23)19(2)28;1-3-4-5-6-19-7-9-20(10-8-19)24-15-17-26(18-16-24)34(31,32)22(21(27)23-28)11-13-25(14-12-22)33(2,29)30;;;;;;/h8-11,33H,4-7,12-22H2,1-3H3,(H,27,32);6-9,33H,2-5,10-20H2,1H3,(H,26,31);7-10,33H,5-6,11-19H2,1-4H3,(H,26,32)(H,27,31);7-10,30H,3-6,11-18H2,1-2H3,(H,24,29);7-10,28H,3-6,11-18H2,1-2H3,(H,23,27);6*1H.
What are the key properties of 1-acetyl-N-hydroxy-4-[4-(4-pentylphenyl)piperazin-1-yl]sulfonylpiperidine-4-carboxamide;4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-1-N-tert-butyl-4-N-hydroxypiperidine-1,4-dicarboxamide;4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-1-[2-(diethylamino)ethyl]-N-hydroxypiperidine-4-carboxamide;4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxy-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide;N-hydroxy-1-methylsulfonyl-4-[4-(4-pentylphenyl)piperazin-1-yl]sulfonylpiperidine-4-carboxamide;hexahydrochloride?
1-acetyl-N-hydroxy-4-[4-(4-pentylphenyl)piperazin-1-yl]sulfonylpiperidine-4-carboxamide;4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-1-N-tert-butyl-4-N-hydroxypiperidine-1,4-dicarboxamide;4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-1-[2-(diethylamino)ethyl]-N-hydroxypiperidine-4-carboxamide;4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxy-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide;N-hydroxy-1-methylsulfonyl-4-[4-(4-pentylphenyl)piperazin-1-yl]sulfonylpiperidine-4-carboxamide;hexahydrochloride has a molecular weight of 2833.21 g/mol, XLogP of 11.50, 46 rotatable bonds, 11 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-hydroxy-4-[4-(4-pentylphenyl)piperazin-1-yl]sulfonylpiperidine-4-carboxamide;4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-1-N-tert-butyl-4-N-hydroxypiperidine-1,4-dicarboxamide;4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-1-[2-(diethylamino)ethyl]-N-hydroxypiperidine-4-carboxamide;4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxy-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide;N-hydroxy-1-methylsulfonyl-4-[4-(4-pentylphenyl)piperazin-1-yl]sulfonylpiperidine-4-carboxamide;hexahydrochloride is sourced from PubChem (CID 159395450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).