N-hydroxy-N-[4-[[4-[2-(3-methyl-4-pyridinyl)ethyl]piperidin-1-yl]sulfonylmethyl]oxan-4-yl]formamide

C20H31N3O5S — CID 146047208

IUPACN-hydroxy-N-[4-[[4-[2-(3-methyl-4-pyridinyl)ethyl]piperidin-1-yl]sulfonylmethyl]oxan-4-yl]formamide
SMILESCc1cnccc1CCC1CCN(S(=O)(=O)CC2(N(O)C=O)CCOCC2)CC1
InChIInChI=1S/C20H31N3O5S/c1-17-14-21-9-4-19(17)3-2-18-5-10-22(11-6-18)29(26,27)15-20(23(25)16-24)7-12-28-13-8-20/h4,9,14,16,18,25H,2-3,5-8,10-13,15H2,1H3
InChIKeyBZNHVMZONAZSPQ-UHFFFAOYSA-N
MW425.55 g/mol
LogP1.76
Rot. Bonds8

About N-hydroxy-N-[4-[[4-[2-(3-methyl-4-pyridinyl)ethyl]piperidin-1-yl]sulfonylmethyl]oxan-4-yl]formamide

N-hydroxy-N-[4-[[4-[2-(3-methyl-4-pyridinyl)ethyl]piperidin-1-yl]sulfonylmethyl]oxan-4-yl]formamide (PubChem CID 146047208) has the molecular formula C20H31N3O5S and a molecular weight of 425.55 g/mol. Its IUPAC name is N-hydroxy-N-[4-[[4-[2-(3-methyl-4-pyridinyl)ethyl]piperidin-1-yl]sulfonylmethyl]oxan-4-yl]formamide.

Molecular Properties

Compound NameN-hydroxy-N-[4-[[4-[2-(3-methyl-4-pyridinyl)ethyl]piperidin-1-yl]sulfonylmethyl]oxan-4-yl]formamide
PubChem CID146047208
Molecular FormulaC20H31N3O5S
Molecular Weight425.55 g/mol
Exact Mass425.20
IUPAC NameN-hydroxy-N-[4-[[4-[2-(3-methyl-4-pyridinyl)ethyl]piperidin-1-yl]sulfonylmethyl]oxan-4-yl]formamide
SMILESCc1cnccc1CCC1CCN(S(=O)(=O)CC2(N(O)C=O)CCOCC2)CC1
InChIInChI=1S/C20H31N3O5S/c1-17-14-21-9-4-19(17)3-2-18-5-10-22(11-6-18)29(26,27)15-20(23(25)16-24)7-12-28-13-8-20/h4,9,14,16,18,25H,2-3,5-8,10-13,15H2,1H3
InChIKeyBZNHVMZONAZSPQ-UHFFFAOYSA-N
XLogP1.76
TPSA100.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 51.76
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'}

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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N-[4-[[4-[2-(3-methyl-4-pyridinyl)ethyl]piperidin-1-yl]sulfonylmethyl]oxan-4-yl]formamide?
The IUPAC name of N-hydroxy-N-[4-[[4-[2-(3-methyl-4-pyridinyl)ethyl]piperidin-1-yl]sulfonylmethyl]oxan-4-yl]formamide (CID 146047208) is N-hydroxy-N-[4-[[4-[2-(3-methyl-4-pyridinyl)ethyl]piperidin-1-yl]sulfonylmethyl]oxan-4-yl]formamide.
What is the SMILES notation for N-hydroxy-N-[4-[[4-[2-(3-methyl-4-pyridinyl)ethyl]piperidin-1-yl]sulfonylmethyl]oxan-4-yl]formamide?
The canonical SMILES for N-hydroxy-N-[4-[[4-[2-(3-methyl-4-pyridinyl)ethyl]piperidin-1-yl]sulfonylmethyl]oxan-4-yl]formamide is Cc1cnccc1CCC1CCN(S(=O)(=O)CC2(N(O)C=O)CCOCC2)CC1.
What is the InChIKey of N-hydroxy-N-[4-[[4-[2-(3-methyl-4-pyridinyl)ethyl]piperidin-1-yl]sulfonylmethyl]oxan-4-yl]formamide?
The InChIKey is BZNHVMZONAZSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O5S/c1-17-14-21-9-4-19(17)3-2-18-5-10-22(11-6-18)29(26,27)15-20(23(25)16-24)7-12-28-13-8-20/h4,9,14,16,18,25H,2-3,5-8,10-13,15H2,1H3.
What are the key properties of N-hydroxy-N-[4-[[4-[2-(3-methyl-4-pyridinyl)ethyl]piperidin-1-yl]sulfonylmethyl]oxan-4-yl]formamide?
N-hydroxy-N-[4-[[4-[2-(3-methyl-4-pyridinyl)ethyl]piperidin-1-yl]sulfonylmethyl]oxan-4-yl]formamide has a molecular weight of 425.55 g/mol, XLogP of 1.76, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N-[4-[[4-[2-(3-methyl-4-pyridinyl)ethyl]piperidin-1-yl]sulfonylmethyl]oxan-4-yl]formamide is sourced from PubChem (CID 146047208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).