1-benzyl-N-hydroxy-4-[4-[1-(2-methoxyphenyl)piperidin-4-yl]piperidin-1-yl]sulfonylpiperidine-4-carboxamide;4-[4-(5-butyl-2-pyridinyl)piperidin-1-yl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide;tetrahydrochloride

C53H84Cl4N8O10S2 — CID 161028113

IUPAC1-benzyl-N-hydroxy-4-[4-[1-(2-methoxyphenyl)piperidin-4-yl]piperidin-1-yl]sulfonylpiperidine-4-carboxamide;4-[4-(5-butyl-2-pyridinyl)piperidin-1-yl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide;tetrahydrochloride
SMILESCCCCc1ccc(C2CCN(S(=O)(=O)C3(C(=O)NO)CCN(CCOC)CC3)CC2)nc1.COc1ccccc1N1CCC(C2CCN(S(=O)(=O)C3(C(=O)NO)CCN(Cc4ccccc4)CC3)CC2)CC1.Cl.Cl.Cl.Cl
InChIInChI=1S/C30H42N4O5S.C23H38N4O5S.4ClH/c1-39-28-10-6-5-9-27(28)33-17-11-25(12-18-33)26-13-19-34(20-14-26)40(37,38)30(29(35)31-36)15-21-32(22-16-30)23-24-7-3-2-4-8-24;1-3-4-5-19-6-7-21(24-18-19)20-8-12-27(13-9-20)33(30,31)23(22(28)25-29)10-14-26(15-11-23)16-17-32-2;;;;/h2-10,25-26,36H,11-23H2,1H3,(H,31,35);6-7,18,20,29H,3-5,8-17H2,1-2H3,(H,25,28);4*1H
InChIKeyATSSOALPBVVBSF-UHFFFAOYSA-N
MW1199.25 g/mol
LogP7.10
Rot. Bonds18

About 1-benzyl-N-hydroxy-4-[4-[1-(2-methoxyphenyl)piperidin-4-yl]piperidin-1-yl]sulfonylpiperidine-4-carboxamide;4-[4-(5-butyl-2-pyridinyl)piperidin-1-yl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide;tetrahydrochloride

1-benzyl-N-hydroxy-4-[4-[1-(2-methoxyphenyl)piperidin-4-yl]piperidin-1-yl]sulfonylpiperidine-4-carboxamide;4-[4-(5-butyl-2-pyridinyl)piperidin-1-yl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide;tetrahydrochloride (PubChem CID 161028113) has the molecular formula C53H84Cl4N8O10S2 and a molecular weight of 1199.25 g/mol. Its IUPAC name is 1-benzyl-N-hydroxy-4-[4-[1-(2-methoxyphenyl)piperidin-4-yl]piperidin-1-yl]sulfonylpiperidine-4-carboxamide;4-[4-(5-butyl-2-pyridinyl)piperidin-1-yl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide;tetrahydrochloride.

Molecular Properties

Compound Name1-benzyl-N-hydroxy-4-[4-[1-(2-methoxyphenyl)piperidin-4-yl]piperidin-1-yl]sulfonylpiperidine-4-carboxamide;4-[4-(5-butyl-2-pyridinyl)piperidin-1-yl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide;tetrahydrochloride
PubChem CID161028113
Molecular FormulaC53H84Cl4N8O10S2
Molecular Weight1199.25 g/mol
Exact Mass1196.45
IUPAC Name1-benzyl-N-hydroxy-4-[4-[1-(2-methoxyphenyl)piperidin-4-yl]piperidin-1-yl]sulfonylpiperidine-4-carboxamide;4-[4-(5-butyl-2-pyridinyl)piperidin-1-yl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide;tetrahydrochloride
SMILESCCCCc1ccc(C2CCN(S(=O)(=O)C3(C(=O)NO)CCN(CCOC)CC3)CC2)nc1.COc1ccccc1N1CCC(C2CCN(S(=O)(=O)C3(C(=O)NO)CCN(Cc4ccccc4)CC3)CC2)CC1.Cl.Cl.Cl.Cl
InChIInChI=1S/C30H42N4O5S.C23H38N4O5S.4ClH/c1-39-28-10-6-5-9-27(28)33-17-11-25(12-18-33)26-13-19-34(20-14-26)40(37,38)30(29(35)31-36)15-21-32(22-16-30)23-24-7-3-2-4-8-24;1-3-4-5-19-6-7-21(24-18-19)20-8-12-27(13-9-20)33(30,31)23(22(28)25-29)10-14-26(15-11-23)16-17-32-2;;;;/h2-10,25-26,36H,11-23H2,1H3,(H,31,35);6-7,18,20,29H,3-5,8-17H2,1-2H3,(H,25,28);4*1H
InChIKeyATSSOALPBVVBSF-UHFFFAOYSA-N
XLogP7.10
TPSA214.49 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds18
Heavy Atoms77
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001199.25
LogP ≤ 57.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-benzyl-N-hydroxy-4-[4-[1-(2-methoxyphenyl)piperidin-4-yl]piperidin-1-yl]sulfonylpiperidine-4-carboxamide;4-[4-(5-butyl-2-pyridinyl)piperidin-1-yl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide;tetrahydrochloride with MolForge

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Related Compounds

4-[4-(5-butyl-2-pyridinyl)piperidin-1-yl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-hydroxy-4-[4-(2,2,3,3,4,4,5,5-octafluoropentoxymethyl)piperidin-1-yl]sulfonyloxane-4-carboxamide;N-hydroxy-4-[4-[5-(3,3,4,4,4-pentafluorobutyl)-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide;N-hydroxy-4-[4-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]piperidin-1-yl]sulfonyloxane-4-carboxamide;N-hydroxy-4-(4-propylidenepiperidin-1-yl)sulfonyloxane-4-carboxamide;N-hydroxy-4-[4-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]piperidin-1-yl]sulfonyloxane-4-carboxamide;N-hydroxy-4-[4-[5-(3,3,3-trifluoropropyl)-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide;trihydrochloride
CID 162102918
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

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-hydroxy-4-[4-[1-(2-methoxyphenyl)piperidin-4-yl]piperidin-1-yl]sulfonylpiperidine-4-carboxamide;4-[4-(5-butyl-2-pyridinyl)piperidin-1-yl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide;tetrahydrochloride?
The IUPAC name of 1-benzyl-N-hydroxy-4-[4-[1-(2-methoxyphenyl)piperidin-4-yl]piperidin-1-yl]sulfonylpiperidine-4-carboxamide;4-[4-(5-butyl-2-pyridinyl)piperidin-1-yl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide;tetrahydrochloride (CID 161028113) is 1-benzyl-N-hydroxy-4-[4-[1-(2-methoxyphenyl)piperidin-4-yl]piperidin-1-yl]sulfonylpiperidine-4-carboxamide;4-[4-(5-butyl-2-pyridinyl)piperidin-1-yl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide;tetrahydrochloride.
What is the SMILES notation for 1-benzyl-N-hydroxy-4-[4-[1-(2-methoxyphenyl)piperidin-4-yl]piperidin-1-yl]sulfonylpiperidine-4-carboxamide;4-[4-(5-butyl-2-pyridinyl)piperidin-1-yl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide;tetrahydrochloride?
The canonical SMILES for 1-benzyl-N-hydroxy-4-[4-[1-(2-methoxyphenyl)piperidin-4-yl]piperidin-1-yl]sulfonylpiperidine-4-carboxamide;4-[4-(5-butyl-2-pyridinyl)piperidin-1-yl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide;tetrahydrochloride is CCCCc1ccc(C2CCN(S(=O)(=O)C3(C(=O)NO)CCN(CCOC)CC3)CC2)nc1.COc1ccccc1N1CCC(C2CCN(S(=O)(=O)C3(C(=O)NO)CCN(Cc4ccccc4)CC3)CC2)CC1.Cl.Cl.Cl.Cl.
What is the InChIKey of 1-benzyl-N-hydroxy-4-[4-[1-(2-methoxyphenyl)piperidin-4-yl]piperidin-1-yl]sulfonylpiperidine-4-carboxamide;4-[4-(5-butyl-2-pyridinyl)piperidin-1-yl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide;tetrahydrochloride?
The InChIKey is ATSSOALPBVVBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H42N4O5S.C23H38N4O5S.4ClH/c1-39-28-10-6-5-9-27(28)33-17-11-25(12-18-33)26-13-19-34(20-14-26)40(37,38)30(29(35)31-36)15-21-32(22-16-30)23-24-7-3-2-4-8-24;1-3-4-5-19-6-7-21(24-18-19)20-8-12-27(13-9-20)33(30,31)23(22(28)25-29)10-14-26(15-11-23)16-17-32-2;;;;/h2-10,25-26,36H,11-23H2,1H3,(H,31,35);6-7,18,20,29H,3-5,8-17H2,1-2H3,(H,25,28);4*1H.
What are the key properties of 1-benzyl-N-hydroxy-4-[4-[1-(2-methoxyphenyl)piperidin-4-yl]piperidin-1-yl]sulfonylpiperidine-4-carboxamide;4-[4-(5-butyl-2-pyridinyl)piperidin-1-yl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide;tetrahydrochloride?
1-benzyl-N-hydroxy-4-[4-[1-(2-methoxyphenyl)piperidin-4-yl]piperidin-1-yl]sulfonylpiperidine-4-carboxamide;4-[4-(5-butyl-2-pyridinyl)piperidin-1-yl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide;tetrahydrochloride has a molecular weight of 1199.25 g/mol, XLogP of 7.10, 18 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-hydroxy-4-[4-[1-(2-methoxyphenyl)piperidin-4-yl]piperidin-1-yl]sulfonylpiperidine-4-carboxamide;4-[4-(5-butyl-2-pyridinyl)piperidin-1-yl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide;tetrahydrochloride is sourced from PubChem (CID 161028113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).