N-hydroxy-1-(2-methoxyethyl)-4-[4-[4-(2-methylhexyl)phenyl]piperazin-1-yl]sulfonylpiperidine-4-carboxamide

C26H44N4O5S — CID 21068532

IUPACN-hydroxy-1-(2-methoxyethyl)-4-[4-[4-(2-methylhexyl)phenyl]piperazin-1-yl]sulfonylpiperidine-4-carboxamide
SMILESCCCCC(C)Cc1ccc(N2CCN(S(=O)(=O)C3(C(=O)NO)CCN(CCOC)CC3)CC2)cc1
InChIInChI=1S/C26H44N4O5S/c1-4-5-6-22(2)21-23-7-9-24(10-8-23)29-15-17-30(18-16-29)36(33,34)26(25(31)27-32)11-13-28(14-12-26)19-20-35-3/h7-10,22,32H,4-6,11-21H2,1-3H3,(H,27,31)
InChIKeyRORPSIASVGPJOV-UHFFFAOYSA-N
MW524.73 g/mol
LogP2.49
Rot. Bonds12

About N-hydroxy-1-(2-methoxyethyl)-4-[4-[4-(2-methylhexyl)phenyl]piperazin-1-yl]sulfonylpiperidine-4-carboxamide

N-hydroxy-1-(2-methoxyethyl)-4-[4-[4-(2-methylhexyl)phenyl]piperazin-1-yl]sulfonylpiperidine-4-carboxamide (PubChem CID 21068532) has the molecular formula C26H44N4O5S and a molecular weight of 524.73 g/mol. Its IUPAC name is N-hydroxy-1-(2-methoxyethyl)-4-[4-[4-(2-methylhexyl)phenyl]piperazin-1-yl]sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-hydroxy-1-(2-methoxyethyl)-4-[4-[4-(2-methylhexyl)phenyl]piperazin-1-yl]sulfonylpiperidine-4-carboxamide
PubChem CID21068532
Molecular FormulaC26H44N4O5S
Molecular Weight524.73 g/mol
Exact Mass524.30
IUPAC NameN-hydroxy-1-(2-methoxyethyl)-4-[4-[4-(2-methylhexyl)phenyl]piperazin-1-yl]sulfonylpiperidine-4-carboxamide
SMILESCCCCC(C)Cc1ccc(N2CCN(S(=O)(=O)C3(C(=O)NO)CCN(CCOC)CC3)CC2)cc1
InChIInChI=1S/C26H44N4O5S/c1-4-5-6-22(2)21-23-7-9-24(10-8-23)29-15-17-30(18-16-29)36(33,34)26(25(31)27-32)11-13-28(14-12-26)19-20-35-3/h7-10,22,32H,4-6,11-21H2,1-3H3,(H,27,31)
InChIKeyRORPSIASVGPJOV-UHFFFAOYSA-N
XLogP2.49
TPSA102.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.73
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', '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-(4-cyanobutyl)phenyl]piperazin-1-yl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide
CID 21068797
4-[4-[4-(cyclohexylmethyl)phenyl]piperazin-1-yl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide
CID 21068902
4-[4-[4-(4-fluorobutoxy)phenyl]piperazin-1-yl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide
CID 21068800
4-[4-(3-fluoro-4-propoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide;dihydrochloride
CID 162334316
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-4-N-hydroxy-1-N-(2-methoxyethyl)piperidine-1,4-dicarboxamide
CID 21068881
4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxyoxane-4-carboxamide;hydrochloride
CID 169423979
N-hydroxy-1-(4-methylphenyl)-4-[4-(4-pentylphenyl)piperazin-1-yl]sulfonylpiperidine-4-carboxamide;hydrochloride
CID 162328110
4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxy-1-(thiophene-2-carbonyl)piperidine-4-carboxamide;hydrochloride
CID 162326307
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-(1H-imidazol-2-ylmethyl)piperidine-4-carboxamide;dihydrochloride
CID 162332109
4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-1-(dimethylcarbamothioyl)-N-hydroxypiperidine-4-carboxamide
CID 21068883

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-1-(2-methoxyethyl)-4-[4-[4-(2-methylhexyl)phenyl]piperazin-1-yl]sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-hydroxy-1-(2-methoxyethyl)-4-[4-[4-(2-methylhexyl)phenyl]piperazin-1-yl]sulfonylpiperidine-4-carboxamide (CID 21068532) is N-hydroxy-1-(2-methoxyethyl)-4-[4-[4-(2-methylhexyl)phenyl]piperazin-1-yl]sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-hydroxy-1-(2-methoxyethyl)-4-[4-[4-(2-methylhexyl)phenyl]piperazin-1-yl]sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-hydroxy-1-(2-methoxyethyl)-4-[4-[4-(2-methylhexyl)phenyl]piperazin-1-yl]sulfonylpiperidine-4-carboxamide is CCCCC(C)Cc1ccc(N2CCN(S(=O)(=O)C3(C(=O)NO)CCN(CCOC)CC3)CC2)cc1.
What is the InChIKey of N-hydroxy-1-(2-methoxyethyl)-4-[4-[4-(2-methylhexyl)phenyl]piperazin-1-yl]sulfonylpiperidine-4-carboxamide?
The InChIKey is RORPSIASVGPJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H44N4O5S/c1-4-5-6-22(2)21-23-7-9-24(10-8-23)29-15-17-30(18-16-29)36(33,34)26(25(31)27-32)11-13-28(14-12-26)19-20-35-3/h7-10,22,32H,4-6,11-21H2,1-3H3,(H,27,31).
What are the key properties of N-hydroxy-1-(2-methoxyethyl)-4-[4-[4-(2-methylhexyl)phenyl]piperazin-1-yl]sulfonylpiperidine-4-carboxamide?
N-hydroxy-1-(2-methoxyethyl)-4-[4-[4-(2-methylhexyl)phenyl]piperazin-1-yl]sulfonylpiperidine-4-carboxamide has a molecular weight of 524.73 g/mol, XLogP of 2.49, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-1-(2-methoxyethyl)-4-[4-[4-(2-methylhexyl)phenyl]piperazin-1-yl]sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 21068532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).