N-[4-(diethylamino)-5-[4-(4-methoxyphenyl)piperidin-1-yl]sulfonylpent-2-ynyl]-N-hydroxyformamide

C22H33N3O5S — CID 87845351

IUPACN-[4-(diethylamino)-5-[4-(4-methoxyphenyl)piperidin-1-yl]sulfonylpent-2-ynyl]-N-hydroxyformamide
SMILESCCN(CC)C(C#CCN(O)C=O)CS(=O)(=O)N1CCC(c2ccc(OC)cc2)CC1
InChIInChI=1S/C22H33N3O5S/c1-4-23(5-2)21(7-6-14-24(27)18-26)17-31(28,29)25-15-12-20(13-16-25)19-8-10-22(30-3)11-9-19/h8-11,18,20-21,27H,4-5,12-17H2,1-3H3
InChIKeyRUHCGSRPSSCZIZ-UHFFFAOYSA-N
MW451.59 g/mol
LogP1.77
Rot. Bonds10

About N-[4-(diethylamino)-5-[4-(4-methoxyphenyl)piperidin-1-yl]sulfonylpent-2-ynyl]-N-hydroxyformamide

N-[4-(diethylamino)-5-[4-(4-methoxyphenyl)piperidin-1-yl]sulfonylpent-2-ynyl]-N-hydroxyformamide (PubChem CID 87845351) has the molecular formula C22H33N3O5S and a molecular weight of 451.59 g/mol. Its IUPAC name is N-[4-(diethylamino)-5-[4-(4-methoxyphenyl)piperidin-1-yl]sulfonylpent-2-ynyl]-N-hydroxyformamide.

Molecular Properties

Compound NameN-[4-(diethylamino)-5-[4-(4-methoxyphenyl)piperidin-1-yl]sulfonylpent-2-ynyl]-N-hydroxyformamide
PubChem CID87845351
Molecular FormulaC22H33N3O5S
Molecular Weight451.59 g/mol
Exact Mass451.21
IUPAC NameN-[4-(diethylamino)-5-[4-(4-methoxyphenyl)piperidin-1-yl]sulfonylpent-2-ynyl]-N-hydroxyformamide
SMILESCCN(CC)C(C#CCN(O)C=O)CS(=O)(=O)N1CCC(c2ccc(OC)cc2)CC1
InChIInChI=1S/C22H33N3O5S/c1-4-23(5-2)21(7-6-14-24(27)18-26)17-31(28,29)25-15-12-20(13-16-25)19-8-10-22(30-3)11-9-19/h8-11,18,20-21,27H,4-5,12-17H2,1-3H3
InChIKeyRUHCGSRPSSCZIZ-UHFFFAOYSA-N
XLogP1.77
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.59
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)-5-[4-(4-methoxyphenyl)piperidin-1-yl]sulfonylpent-2-ynyl]-N-hydroxyformamide?
The IUPAC name of N-[4-(diethylamino)-5-[4-(4-methoxyphenyl)piperidin-1-yl]sulfonylpent-2-ynyl]-N-hydroxyformamide (CID 87845351) is N-[4-(diethylamino)-5-[4-(4-methoxyphenyl)piperidin-1-yl]sulfonylpent-2-ynyl]-N-hydroxyformamide.
What is the SMILES notation for N-[4-(diethylamino)-5-[4-(4-methoxyphenyl)piperidin-1-yl]sulfonylpent-2-ynyl]-N-hydroxyformamide?
The canonical SMILES for N-[4-(diethylamino)-5-[4-(4-methoxyphenyl)piperidin-1-yl]sulfonylpent-2-ynyl]-N-hydroxyformamide is CCN(CC)C(C#CCN(O)C=O)CS(=O)(=O)N1CCC(c2ccc(OC)cc2)CC1.
What is the InChIKey of N-[4-(diethylamino)-5-[4-(4-methoxyphenyl)piperidin-1-yl]sulfonylpent-2-ynyl]-N-hydroxyformamide?
The InChIKey is RUHCGSRPSSCZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O5S/c1-4-23(5-2)21(7-6-14-24(27)18-26)17-31(28,29)25-15-12-20(13-16-25)19-8-10-22(30-3)11-9-19/h8-11,18,20-21,27H,4-5,12-17H2,1-3H3.
What are the key properties of N-[4-(diethylamino)-5-[4-(4-methoxyphenyl)piperidin-1-yl]sulfonylpent-2-ynyl]-N-hydroxyformamide?
N-[4-(diethylamino)-5-[4-(4-methoxyphenyl)piperidin-1-yl]sulfonylpent-2-ynyl]-N-hydroxyformamide has a molecular weight of 451.59 g/mol, XLogP of 1.77, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)-5-[4-(4-methoxyphenyl)piperidin-1-yl]sulfonylpent-2-ynyl]-N-hydroxyformamide is sourced from PubChem (CID 87845351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).