N-hydroxy-1-(4-methylphenyl)-4-[4-(4-pentylphenyl)piperazin-1-yl]sulfonylpiperidine-4-carboxamide;hydrochloride

C28H41ClN4O4S — CID 162328110

IUPACN-hydroxy-1-(4-methylphenyl)-4-[4-(4-pentylphenyl)piperazin-1-yl]sulfonylpiperidine-4-carboxamide;hydrochloride
SMILESCCCCCc1ccc(N2CCN(S(=O)(=O)C3(C(=O)NO)CCN(c4ccc(C)cc4)CC3)CC2)cc1.Cl
InChIInChI=1S/C28H40N4O4S.ClH/c1-3-4-5-6-24-9-13-26(14-10-24)31-19-21-32(22-20-31)37(35,36)28(27(33)29-34)15-17-30(18-16-28)25-11-7-23(2)8-12-25;/h7-14,34H,3-6,15-22H2,1-2H3,(H,29,33);1H
InChIKeyNMAOQQRVODQCTL-UHFFFAOYSA-N
MW565.18 g/mol
LogP4.15
Rot. Bonds9

About N-hydroxy-1-(4-methylphenyl)-4-[4-(4-pentylphenyl)piperazin-1-yl]sulfonylpiperidine-4-carboxamide;hydrochloride

N-hydroxy-1-(4-methylphenyl)-4-[4-(4-pentylphenyl)piperazin-1-yl]sulfonylpiperidine-4-carboxamide;hydrochloride (PubChem CID 162328110) has the molecular formula C28H41ClN4O4S and a molecular weight of 565.18 g/mol. Its IUPAC name is N-hydroxy-1-(4-methylphenyl)-4-[4-(4-pentylphenyl)piperazin-1-yl]sulfonylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-hydroxy-1-(4-methylphenyl)-4-[4-(4-pentylphenyl)piperazin-1-yl]sulfonylpiperidine-4-carboxamide;hydrochloride
PubChem CID162328110
Molecular FormulaC28H41ClN4O4S
Molecular Weight565.18 g/mol
Exact Mass564.25
IUPAC NameN-hydroxy-1-(4-methylphenyl)-4-[4-(4-pentylphenyl)piperazin-1-yl]sulfonylpiperidine-4-carboxamide;hydrochloride
SMILESCCCCCc1ccc(N2CCN(S(=O)(=O)C3(C(=O)NO)CCN(c4ccc(C)cc4)CC3)CC2)cc1.Cl
InChIInChI=1S/C28H40N4O4S.ClH/c1-3-4-5-6-24-9-13-26(14-10-24)31-19-21-32(22-20-31)37(35,36)28(27(33)29-34)15-17-30(18-16-28)25-11-7-23(2)8-12-25;/h7-14,34H,3-6,15-22H2,1-2H3,(H,29,33);1H
InChIKeyNMAOQQRVODQCTL-UHFFFAOYSA-N
XLogP4.15
TPSA93.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500565.18
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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'}

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Related Compounds

4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxy-1-(4-methylphenyl)piperidine-4-carboxamide
CID 21068872
N-hydroxy-4-[4-[4-(4-methylphenyl)phenyl]piperazin-1-yl]sulfonyloxane-4-carboxamide
CID 21068940
4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxyoxane-4-carboxamide;hydrochloride
CID 169423979
N-hydroxy-4-[4-(5-pentyl-2-pyridinyl)piperazin-1-yl]sulfonyl-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 21069061
4-[4-[4-(4-cyanobutyl)phenyl]piperazin-1-yl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide
CID 21068797
4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxy-1-(3,3,3-trifluoropropanoyl)piperidine-4-carboxamide;hydrochloride
CID 162337910
4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxy-1-(1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 21068879
N-hydroxy-4-[4-[4-(3,3,4,4,4-pentafluorobutyl)phenyl]piperazin-1-yl]sulfonylpiperidine-4-carboxamide;hydrochloride
CID 159345731
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-hydroxy-1-(thiophene-2-carbonyl)piperidine-4-carboxamide;hydrochloride
CID 162326307
N-hydroxy-1-(2-methoxyethyl)-4-[4-[4-(2-methylhexyl)phenyl]piperazin-1-yl]sulfonylpiperidine-4-carboxamide
CID 21068532
4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxy-1-(1H-imidazol-2-ylmethyl)piperidine-4-carboxamide;dihydrochloride
CID 162332109

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-1-(4-methylphenyl)-4-[4-(4-pentylphenyl)piperazin-1-yl]sulfonylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-hydroxy-1-(4-methylphenyl)-4-[4-(4-pentylphenyl)piperazin-1-yl]sulfonylpiperidine-4-carboxamide;hydrochloride (CID 162328110) is N-hydroxy-1-(4-methylphenyl)-4-[4-(4-pentylphenyl)piperazin-1-yl]sulfonylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-hydroxy-1-(4-methylphenyl)-4-[4-(4-pentylphenyl)piperazin-1-yl]sulfonylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-hydroxy-1-(4-methylphenyl)-4-[4-(4-pentylphenyl)piperazin-1-yl]sulfonylpiperidine-4-carboxamide;hydrochloride is CCCCCc1ccc(N2CCN(S(=O)(=O)C3(C(=O)NO)CCN(c4ccc(C)cc4)CC3)CC2)cc1.Cl.
What is the InChIKey of N-hydroxy-1-(4-methylphenyl)-4-[4-(4-pentylphenyl)piperazin-1-yl]sulfonylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is NMAOQQRVODQCTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40N4O4S.ClH/c1-3-4-5-6-24-9-13-26(14-10-24)31-19-21-32(22-20-31)37(35,36)28(27(33)29-34)15-17-30(18-16-28)25-11-7-23(2)8-12-25;/h7-14,34H,3-6,15-22H2,1-2H3,(H,29,33);1H.
What are the key properties of N-hydroxy-1-(4-methylphenyl)-4-[4-(4-pentylphenyl)piperazin-1-yl]sulfonylpiperidine-4-carboxamide;hydrochloride?
N-hydroxy-1-(4-methylphenyl)-4-[4-(4-pentylphenyl)piperazin-1-yl]sulfonylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 565.18 g/mol, XLogP of 4.15, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-1-(4-methylphenyl)-4-[4-(4-pentylphenyl)piperazin-1-yl]sulfonylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 162328110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).