4-[4-[4-(4-fluorobutoxy)phenyl]piperazin-1-yl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide

C23H37FN4O6S — CID 21068800

IUPAC4-[4-[4-(4-fluorobutoxy)phenyl]piperazin-1-yl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide
SMILESCOCCN1CCC(C(=O)NO)(S(=O)(=O)N2CCN(c3ccc(OCCCCF)cc3)CC2)CC1
InChIInChI=1S/C23H37FN4O6S/c1-33-19-17-26-11-8-23(9-12-26,22(29)25-30)35(31,32)28-15-13-27(14-16-28)20-4-6-21(7-5-20)34-18-3-2-10-24/h4-7,30H,2-3,8-19H2,1H3,(H,25,29)
InChIKeyQDUNIMSGPGVSNT-UHFFFAOYSA-N
MW516.64 g/mol
LogP1.25
Rot. Bonds12

About 4-[4-[4-(4-fluorobutoxy)phenyl]piperazin-1-yl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide

4-[4-[4-(4-fluorobutoxy)phenyl]piperazin-1-yl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide (PubChem CID 21068800) has the molecular formula C23H37FN4O6S and a molecular weight of 516.64 g/mol. Its IUPAC name is 4-[4-[4-(4-fluorobutoxy)phenyl]piperazin-1-yl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name4-[4-[4-(4-fluorobutoxy)phenyl]piperazin-1-yl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide
PubChem CID21068800
Molecular FormulaC23H37FN4O6S
Molecular Weight516.64 g/mol
Exact Mass516.24
IUPAC Name4-[4-[4-(4-fluorobutoxy)phenyl]piperazin-1-yl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide
SMILESCOCCN1CCC(C(=O)NO)(S(=O)(=O)N2CCN(c3ccc(OCCCCF)cc3)CC2)CC1
InChIInChI=1S/C23H37FN4O6S/c1-33-19-17-26-11-8-23(9-12-26,22(29)25-30)35(31,32)28-15-13-27(14-16-28)20-4-6-21(7-5-20)34-18-3-2-10-24/h4-7,30H,2-3,8-19H2,1H3,(H,25,29)
InChIKeyQDUNIMSGPGVSNT-UHFFFAOYSA-N
XLogP1.25
TPSA111.65 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.64
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', '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-(cyclohexylmethyl)phenyl]piperazin-1-yl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide
CID 21068902
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-(4-methylphenyl)piperidine-4-carboxamide
CID 21068872
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-4-N-hydroxy-1-N-(2-methoxyethyl)piperidine-1,4-dicarboxamide
CID 21068881
4-[4-(3-fluoro-4-propoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide;dihydrochloride
CID 162334316
N-hydroxy-1-[4-(4-propoxyphenyl)piperazin-1-yl]sulfonylcyclopentane-1-carboxamide
CID 21068563
4-[4-(4-butoxyphenyl)piperazin-1-yl]sulfonyl-N-hydroxyoxane-4-carboxamide;hydrochloride
CID 169423979
ethane;N-hydroxy-4-[4-[4-(4,4,4-trifluorobutoxy)phenyl]piperazin-1-yl]sulfonyloxane-4-carboxamide
CID 143045285
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-(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 4-[4-[4-(4-fluorobutoxy)phenyl]piperazin-1-yl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide?
The IUPAC name of 4-[4-[4-(4-fluorobutoxy)phenyl]piperazin-1-yl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide (CID 21068800) is 4-[4-[4-(4-fluorobutoxy)phenyl]piperazin-1-yl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide.
What is the SMILES notation for 4-[4-[4-(4-fluorobutoxy)phenyl]piperazin-1-yl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide?
The canonical SMILES for 4-[4-[4-(4-fluorobutoxy)phenyl]piperazin-1-yl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide is COCCN1CCC(C(=O)NO)(S(=O)(=O)N2CCN(c3ccc(OCCCCF)cc3)CC2)CC1.
What is the InChIKey of 4-[4-[4-(4-fluorobutoxy)phenyl]piperazin-1-yl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide?
The InChIKey is QDUNIMSGPGVSNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37FN4O6S/c1-33-19-17-26-11-8-23(9-12-26,22(29)25-30)35(31,32)28-15-13-27(14-16-28)20-4-6-21(7-5-20)34-18-3-2-10-24/h4-7,30H,2-3,8-19H2,1H3,(H,25,29).
What are the key properties of 4-[4-[4-(4-fluorobutoxy)phenyl]piperazin-1-yl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide?
4-[4-[4-(4-fluorobutoxy)phenyl]piperazin-1-yl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide has a molecular weight of 516.64 g/mol, XLogP of 1.25, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(4-fluorobutoxy)phenyl]piperazin-1-yl]sulfonyl-N-hydroxy-1-(2-methoxyethyl)piperidine-4-carboxamide is sourced from PubChem (CID 21068800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).