4-[4-(5-butoxy-2-pyridinyl)piperidin-1-yl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-hydroxy-4-[4-[5-(5-methylthiophen-2-yl)-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide;N-hydroxy-4-[4-(5-pyrrolidin-1-yl-2-pyridinyl)piperidin-1-yl]sulfonyloxane-4-carboxamide;trihydrochloride

C61H91Cl3N10O16S4 — CID 161330376

IUPAC4-[4-(5-butoxy-2-pyridinyl)piperidin-1-yl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-hydroxy-4-[4-[5-(5-methylthiophen-2-yl)-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide;N-hydroxy-4-[4-(5-pyrrolidin-1-yl-2-pyridinyl)piperidin-1-yl]sulfonyloxane-4-carboxamide;trihydrochloride
SMILESCCCCOc1ccc(C2CCN(S(=O)(=O)C3(C(=O)NO)CCOCC3)CC2)nc1.Cc1ccc(-c2ccc(C3CCN(S(=O)(=O)C4(C(=O)NO)CCOCC4)CC3)nc2)s1.Cl.Cl.Cl.O=C(NO)C1(S(=O)(=O)N2CCC(c3ccc(N4CCCC4)cn3)CC2)CCOCC1
InChIInChI=1S/C21H27N3O5S2.C20H30N4O5S.C20H31N3O6S.3ClH/c1-15-2-5-19(30-15)17-3-4-18(22-14-17)16-6-10-24(11-7-16)31(27,28)21(20(25)23-26)8-12-29-13-9-21;25-19(22-26)20(7-13-29-14-8-20)30(27,28)24-11-5-16(6-12-24)18-4-3-17(15-21-18)23-9-1-2-10-23;1-2-3-12-29-17-4-5-18(21-15-17)16-6-10-23(11-7-16)30(26,27)20(19(24)22-25)8-13-28-14-9-20;;;/h2-5,14,16,26H,6-13H2,1H3,(H,23,25);3-4,15-16,26H,1-2,5-14H2,(H,22,25);4-5,15-16,25H,2-3,6-14H2,1H3,(H,22,24);3*1H
InChIKeyRXQPCFJOSUXHGA-UHFFFAOYSA-N
MW1455.08 g/mol
LogP7.02
Rot. Bonds18

About 4-[4-(5-butoxy-2-pyridinyl)piperidin-1-yl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-hydroxy-4-[4-[5-(5-methylthiophen-2-yl)-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide;N-hydroxy-4-[4-(5-pyrrolidin-1-yl-2-pyridinyl)piperidin-1-yl]sulfonyloxane-4-carboxamide;trihydrochloride

4-[4-(5-butoxy-2-pyridinyl)piperidin-1-yl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-hydroxy-4-[4-[5-(5-methylthiophen-2-yl)-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide;N-hydroxy-4-[4-(5-pyrrolidin-1-yl-2-pyridinyl)piperidin-1-yl]sulfonyloxane-4-carboxamide;trihydrochloride (PubChem CID 161330376) has the molecular formula C61H91Cl3N10O16S4 and a molecular weight of 1455.08 g/mol. Its IUPAC name is 4-[4-(5-butoxy-2-pyridinyl)piperidin-1-yl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-hydroxy-4-[4-[5-(5-methylthiophen-2-yl)-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide;N-hydroxy-4-[4-(5-pyrrolidin-1-yl-2-pyridinyl)piperidin-1-yl]sulfonyloxane-4-carboxamide;trihydrochloride.

Molecular Properties

Compound Name4-[4-(5-butoxy-2-pyridinyl)piperidin-1-yl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-hydroxy-4-[4-[5-(5-methylthiophen-2-yl)-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide;N-hydroxy-4-[4-(5-pyrrolidin-1-yl-2-pyridinyl)piperidin-1-yl]sulfonyloxane-4-carboxamide;trihydrochloride
PubChem CID161330376
Molecular FormulaC61H91Cl3N10O16S4
Molecular Weight1455.08 g/mol
Exact Mass1452.46
IUPAC Name4-[4-(5-butoxy-2-pyridinyl)piperidin-1-yl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-hydroxy-4-[4-[5-(5-methylthiophen-2-yl)-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide;N-hydroxy-4-[4-(5-pyrrolidin-1-yl-2-pyridinyl)piperidin-1-yl]sulfonyloxane-4-carboxamide;trihydrochloride
SMILESCCCCOc1ccc(C2CCN(S(=O)(=O)C3(C(=O)NO)CCOCC3)CC2)nc1.Cc1ccc(-c2ccc(C3CCN(S(=O)(=O)C4(C(=O)NO)CCOCC4)CC3)nc2)s1.Cl.Cl.Cl.O=C(NO)C1(S(=O)(=O)N2CCC(c3ccc(N4CCCC4)cn3)CC2)CCOCC1
InChIInChI=1S/C21H27N3O5S2.C20H30N4O5S.C20H31N3O6S.3ClH/c1-15-2-5-19(30-15)17-3-4-18(22-14-17)16-6-10-24(11-7-16)31(27,28)21(20(25)23-26)8-12-29-13-9-21;25-19(22-26)20(7-13-29-14-8-20)30(27,28)24-11-5-16(6-12-24)18-4-3-17(15-21-18)23-9-1-2-10-23;1-2-3-12-29-17-4-5-18(21-15-17)16-6-10-23(11-7-16)30(26,27)20(19(24)22-25)8-13-28-14-9-20;;;/h2-5,14,16,26H,6-13H2,1H3,(H,23,25);3-4,15-16,26H,1-2,5-14H2,(H,22,25);4-5,15-16,25H,2-3,6-14H2,1H3,(H,22,24);3*1H
InChIKeyRXQPCFJOSUXHGA-UHFFFAOYSA-N
XLogP7.02
TPSA338.96 Ų
H-Bond Donors6
H-Bond Acceptors21
Rotatable Bonds18
Heavy Atoms94
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001455.08
LogP ≤ 57.02
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1021

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'}

Analyze 4-[4-(5-butoxy-2-pyridinyl)piperidin-1-yl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-hydroxy-4-[4-[5-(5-methylthiophen-2-yl)-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide;N-hydroxy-4-[4-(5-pyrrolidin-1-yl-2-pyridinyl)piperidin-1-yl]sulfonyloxane-4-carboxamide;trihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyclopropyl-N-hydroxy-4-[4-[5-(2,2,3,3,3-pentafluoropropoxy)pyrazin-2-yl]phenyl]sulfonylpiperidine-4-carboxamide;N-hydroxy-4-[4-[5-(2,2,3,3,3-pentafluoropropoxy)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide;N-hydroxy-4-[4-[5-(4,4,4-trifluorobutoxy)pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide;N-hydroxy-4-[4-[5-(4,4,4-trifluorobutoxy)-2-pyridinyl]phenyl]sulfonyloxane-4-carboxamide
CID 157418872
bis(N-hydroxy-1-(2-methoxyethyl)-4-[4-[5-(2,2,3,3,3-pentafluoropropoxy)-2-pyridinyl]phenyl]sulfonylpiperidine-4-carboxamide);dihydrochloride
CID 158254332
4-[4-(2,2,3,3,4,4,4-heptafluorobutoxymethyl)piperidin-1-yl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-hydroxy-4-[4-(2,2,3,3,3-pentafluoropropoxymethyl)piperidin-1-yl]sulfonyloxane-4-carboxamide;N-hydroxy-4-[4-(phenylmethoxymethyl)piperidin-1-yl]sulfonyloxane-4-carboxamide;N-hydroxy-4-[4-(5-phenyl-2-pyridinyl)piperidin-1-yl]sulfonyloxane-4-carboxamide;N-hydroxy-4-[4-(5-pyridin-3-yl-2-pyridinyl)piperidin-1-yl]sulfonyloxane-4-carboxamide;N-hydroxy-4-[4-(2,2,3,3-tetrafluoropropoxymethyl)piperidin-1-yl]sulfonyloxane-4-carboxamide;N-hydroxy-4-[4-(5-thiophen-2-yl-2-pyridinyl)piperidin-1-yl]sulfonyloxane-4-carboxamide;N-hydroxy-4-[4-[4-(2,2,2-trifluoroethoxy)phenyl]piperidin-1-yl]sulfonyloxane-4-carboxamide;tetrahydrochloride
CID 161926420
4-[4-(4-butoxyphenyl)piperidin-1-yl]sulfonyl-1-(1H-pyrrol-2-ylmethyl)piperidine-4-carboxamide;ethane;4-[4-(5-ethylthiophen-2-yl)piperidin-1-yl]sulfonyl-1-(2-methoxyethyl)piperidine-4-carboxamide
CID 142825274
N-hydroxy-4-[4-[2-(3-pyridin-3-ylphenyl)ethoxy]phenyl]sulfonyloxane-4-carboxamide;N-hydroxy-4-[4-[2-(3-pyridin-4-ylphenyl)ethoxy]phenyl]sulfonyloxane-4-carboxamide;N-hydroxy-4-[4-[3-(3-pyridin-2-ylphenyl)propoxy]phenyl]sulfonyloxane-4-carboxamide;N-hydroxy-4-[4-[3-(3-pyridin-3-ylphenyl)propoxy]phenyl]sulfonyloxane-4-carboxamide;N-hydroxy-4-[4-[3-(3-pyridin-4-ylphenyl)propoxy]phenyl]sulfonyloxane-4-carboxamide
CID 157722921
N-hydroxy-1-(2-methoxyethyl)-4-[4-[2-(3-pyridin-2-ylphenyl)ethoxy]phenyl]sulfonylpiperidine-4-carboxamide;N-hydroxy-1-(2-methoxyethyl)-4-[4-[2-(3-pyridin-3-ylphenyl)ethoxy]phenyl]sulfonylpiperidine-4-carboxamide;N-hydroxy-1-(2-methoxyethyl)-4-[4-[2-(3-pyridin-4-ylphenyl)ethoxy]phenyl]sulfonylpiperidine-4-carboxamide;N-hydroxy-1-(2-methoxyethyl)-4-[4-[3-(3-pyridin-3-ylphenyl)propoxy]phenyl]sulfonylpiperidine-4-carboxamide;N-hydroxy-4-[4-[2-(3-pyridin-2-ylphenyl)ethoxy]phenyl]sulfonyloxane-4-carboxamide
CID 161598109

Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-butoxy-2-pyridinyl)piperidin-1-yl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-hydroxy-4-[4-[5-(5-methylthiophen-2-yl)-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide;N-hydroxy-4-[4-(5-pyrrolidin-1-yl-2-pyridinyl)piperidin-1-yl]sulfonyloxane-4-carboxamide;trihydrochloride?
The IUPAC name of 4-[4-(5-butoxy-2-pyridinyl)piperidin-1-yl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-hydroxy-4-[4-[5-(5-methylthiophen-2-yl)-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide;N-hydroxy-4-[4-(5-pyrrolidin-1-yl-2-pyridinyl)piperidin-1-yl]sulfonyloxane-4-carboxamide;trihydrochloride (CID 161330376) is 4-[4-(5-butoxy-2-pyridinyl)piperidin-1-yl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-hydroxy-4-[4-[5-(5-methylthiophen-2-yl)-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide;N-hydroxy-4-[4-(5-pyrrolidin-1-yl-2-pyridinyl)piperidin-1-yl]sulfonyloxane-4-carboxamide;trihydrochloride.
What is the SMILES notation for 4-[4-(5-butoxy-2-pyridinyl)piperidin-1-yl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-hydroxy-4-[4-[5-(5-methylthiophen-2-yl)-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide;N-hydroxy-4-[4-(5-pyrrolidin-1-yl-2-pyridinyl)piperidin-1-yl]sulfonyloxane-4-carboxamide;trihydrochloride?
The canonical SMILES for 4-[4-(5-butoxy-2-pyridinyl)piperidin-1-yl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-hydroxy-4-[4-[5-(5-methylthiophen-2-yl)-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide;N-hydroxy-4-[4-(5-pyrrolidin-1-yl-2-pyridinyl)piperidin-1-yl]sulfonyloxane-4-carboxamide;trihydrochloride is CCCCOc1ccc(C2CCN(S(=O)(=O)C3(C(=O)NO)CCOCC3)CC2)nc1.Cc1ccc(-c2ccc(C3CCN(S(=O)(=O)C4(C(=O)NO)CCOCC4)CC3)nc2)s1.Cl.Cl.Cl.O=C(NO)C1(S(=O)(=O)N2CCC(c3ccc(N4CCCC4)cn3)CC2)CCOCC1.
What is the InChIKey of 4-[4-(5-butoxy-2-pyridinyl)piperidin-1-yl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-hydroxy-4-[4-[5-(5-methylthiophen-2-yl)-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide;N-hydroxy-4-[4-(5-pyrrolidin-1-yl-2-pyridinyl)piperidin-1-yl]sulfonyloxane-4-carboxamide;trihydrochloride?
The InChIKey is RXQPCFJOSUXHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O5S2.C20H30N4O5S.C20H31N3O6S.3ClH/c1-15-2-5-19(30-15)17-3-4-18(22-14-17)16-6-10-24(11-7-16)31(27,28)21(20(25)23-26)8-12-29-13-9-21;25-19(22-26)20(7-13-29-14-8-20)30(27,28)24-11-5-16(6-12-24)18-4-3-17(15-21-18)23-9-1-2-10-23;1-2-3-12-29-17-4-5-18(21-15-17)16-6-10-23(11-7-16)30(26,27)20(19(24)22-25)8-13-28-14-9-20;;;/h2-5,14,16,26H,6-13H2,1H3,(H,23,25);3-4,15-16,26H,1-2,5-14H2,(H,22,25);4-5,15-16,25H,2-3,6-14H2,1H3,(H,22,24);3*1H.
What are the key properties of 4-[4-(5-butoxy-2-pyridinyl)piperidin-1-yl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-hydroxy-4-[4-[5-(5-methylthiophen-2-yl)-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide;N-hydroxy-4-[4-(5-pyrrolidin-1-yl-2-pyridinyl)piperidin-1-yl]sulfonyloxane-4-carboxamide;trihydrochloride?
4-[4-(5-butoxy-2-pyridinyl)piperidin-1-yl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-hydroxy-4-[4-[5-(5-methylthiophen-2-yl)-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide;N-hydroxy-4-[4-(5-pyrrolidin-1-yl-2-pyridinyl)piperidin-1-yl]sulfonyloxane-4-carboxamide;trihydrochloride has a molecular weight of 1455.08 g/mol, XLogP of 7.02, 18 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-butoxy-2-pyridinyl)piperidin-1-yl]sulfonyl-N-hydroxyoxane-4-carboxamide;N-hydroxy-4-[4-[5-(5-methylthiophen-2-yl)-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide;N-hydroxy-4-[4-(5-pyrrolidin-1-yl-2-pyridinyl)piperidin-1-yl]sulfonyloxane-4-carboxamide;trihydrochloride is sourced from PubChem (CID 161330376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).