1-butyl-N-hydroxy-4-[[4-(3-methylbutoxy)phenyl]methylsulfonyl]piperidine-4-carboxamide

C22H36N2O5S — CID 10160482

IUPAC1-butyl-N-hydroxy-4-[[4-(3-methylbutoxy)phenyl]methylsulfonyl]piperidine-4-carboxamide
SMILESCCCCN1CCC(C(=O)NO)(S(=O)(=O)Cc2ccc(OCCC(C)C)cc2)CC1
InChIInChI=1S/C22H36N2O5S/c1-4-5-13-24-14-11-22(12-15-24,21(25)23-26)30(27,28)17-19-6-8-20(9-7-19)29-16-10-18(2)3/h6-9,18,26H,4-5,10-17H2,1-3H3,(H,23,25)
InChIKeySLWCRCGVKFWWFR-UHFFFAOYSA-N
MW440.61 g/mol
LogP3.17
Rot. Bonds11

About 1-butyl-N-hydroxy-4-[[4-(3-methylbutoxy)phenyl]methylsulfonyl]piperidine-4-carboxamide

1-butyl-N-hydroxy-4-[[4-(3-methylbutoxy)phenyl]methylsulfonyl]piperidine-4-carboxamide (PubChem CID 10160482) has the molecular formula C22H36N2O5S and a molecular weight of 440.61 g/mol. Its IUPAC name is 1-butyl-N-hydroxy-4-[[4-(3-methylbutoxy)phenyl]methylsulfonyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-butyl-N-hydroxy-4-[[4-(3-methylbutoxy)phenyl]methylsulfonyl]piperidine-4-carboxamide
PubChem CID10160482
Molecular FormulaC22H36N2O5S
Molecular Weight440.61 g/mol
Exact Mass440.23
IUPAC Name1-butyl-N-hydroxy-4-[[4-(3-methylbutoxy)phenyl]methylsulfonyl]piperidine-4-carboxamide
SMILESCCCCN1CCC(C(=O)NO)(S(=O)(=O)Cc2ccc(OCCC(C)C)cc2)CC1
InChIInChI=1S/C22H36N2O5S/c1-4-5-13-24-14-11-22(12-15-24,21(25)23-26)30(27,28)17-19-6-8-20(9-7-19)29-16-10-18(2)3/h6-9,18,26H,4-5,10-17H2,1-3H3,(H,23,25)
InChIKeySLWCRCGVKFWWFR-UHFFFAOYSA-N
XLogP3.17
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.61
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-4-[[4-(2-ethylbutoxy)phenyl]methylsulfonyl]-N-hydroxypiperidine-4-carboxamide
CID 10277997
4-[[4-[(4-chlorophenyl)methoxy]phenyl]methylsulfonyl]-N-hydroxy-1-methylpiperidine-4-carboxamide
CID 10138948
N-hydroxy-4-[(4-methoxyphenyl)methylsulfonyl]-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 10203115
4-[[4-(4-butoxyphenyl)piperazin-1-yl]-methylidene-oxo-λ6-sulfanyl]-1-[2-(diethylamino)ethyl]-N-hydroxypiperidine-4-carboxamide
CID 142952315
4-(4-butoxyphenyl)sulfonyl-1-(3-phenoxypropyl)piperidine-4-carboxylic acid
CID 11826871
1-ethyl-N-hydroxy-4-[4-[4-(4-hydroxybutoxy)phenyl]phenyl]sulfonylpiperidine-4-carboxamide
CID 58623126
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
ethyl 1-benzyl-4-[4-(3-methylbutoxy)phenyl]sulfonylpiperidine-4-carboxylate
CID 10906839
ethyl 4-(4-butoxyphenyl)sulfonyl-1-(3-phenoxypropyl)piperidine-4-carboxylate
CID 11733857
N-hydroxy-1-(2-methoxyethyl)-4-[4-[3-[3-[2-methyl-4-(3-methylbutyl)phenyl]-1,2,4-oxadiazol-5-yl]propoxy]phenyl]sulfonylpiperidine-4-carboxamide;hydrochloride
CID 169424251
4-butoxy-N'-[4-(3-methylbutoxy)benzoyl]benzohydrazide
CID 4936465

Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-hydroxy-4-[[4-(3-methylbutoxy)phenyl]methylsulfonyl]piperidine-4-carboxamide?
The IUPAC name of 1-butyl-N-hydroxy-4-[[4-(3-methylbutoxy)phenyl]methylsulfonyl]piperidine-4-carboxamide (CID 10160482) is 1-butyl-N-hydroxy-4-[[4-(3-methylbutoxy)phenyl]methylsulfonyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-butyl-N-hydroxy-4-[[4-(3-methylbutoxy)phenyl]methylsulfonyl]piperidine-4-carboxamide?
The canonical SMILES for 1-butyl-N-hydroxy-4-[[4-(3-methylbutoxy)phenyl]methylsulfonyl]piperidine-4-carboxamide is CCCCN1CCC(C(=O)NO)(S(=O)(=O)Cc2ccc(OCCC(C)C)cc2)CC1.
What is the InChIKey of 1-butyl-N-hydroxy-4-[[4-(3-methylbutoxy)phenyl]methylsulfonyl]piperidine-4-carboxamide?
The InChIKey is SLWCRCGVKFWWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N2O5S/c1-4-5-13-24-14-11-22(12-15-24,21(25)23-26)30(27,28)17-19-6-8-20(9-7-19)29-16-10-18(2)3/h6-9,18,26H,4-5,10-17H2,1-3H3,(H,23,25).
What are the key properties of 1-butyl-N-hydroxy-4-[[4-(3-methylbutoxy)phenyl]methylsulfonyl]piperidine-4-carboxamide?
1-butyl-N-hydroxy-4-[[4-(3-methylbutoxy)phenyl]methylsulfonyl]piperidine-4-carboxamide has a molecular weight of 440.61 g/mol, XLogP of 3.17, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-hydroxy-4-[[4-(3-methylbutoxy)phenyl]methylsulfonyl]piperidine-4-carboxamide is sourced from PubChem (CID 10160482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).