N-[2-[4-[(3-chlorophenyl)methoxy]piperidin-1-yl]sulfonyl-1-pyridin-3-ylethyl]-N-hydroxyformamide

C20H24ClN3O5S — CID 87917009

IUPACN-[2-[4-[(3-chlorophenyl)methoxy]piperidin-1-yl]sulfonyl-1-pyridin-3-ylethyl]-N-hydroxyformamide
SMILESO=CN(O)C(CS(=O)(=O)N1CCC(OCc2cccc(Cl)c2)CC1)c1cccnc1
InChIInChI=1S/C20H24ClN3O5S/c21-18-5-1-3-16(11-18)13-29-19-6-9-23(10-7-19)30(27,28)14-20(24(26)15-25)17-4-2-8-22-12-17/h1-5,8,11-12,15,19-20,26H,6-7,9-10,13-14H2
InChIKeyHPXIIPSUIYTSGN-UHFFFAOYSA-N
MW453.95 g/mol
LogP2.63
Rot. Bonds9

About N-[2-[4-[(3-chlorophenyl)methoxy]piperidin-1-yl]sulfonyl-1-pyridin-3-ylethyl]-N-hydroxyformamide

N-[2-[4-[(3-chlorophenyl)methoxy]piperidin-1-yl]sulfonyl-1-pyridin-3-ylethyl]-N-hydroxyformamide (PubChem CID 87917009) has the molecular formula C20H24ClN3O5S and a molecular weight of 453.95 g/mol. Its IUPAC name is N-[2-[4-[(3-chlorophenyl)methoxy]piperidin-1-yl]sulfonyl-1-pyridin-3-ylethyl]-N-hydroxyformamide.

Molecular Properties

Compound NameN-[2-[4-[(3-chlorophenyl)methoxy]piperidin-1-yl]sulfonyl-1-pyridin-3-ylethyl]-N-hydroxyformamide
PubChem CID87917009
Molecular FormulaC20H24ClN3O5S
Molecular Weight453.95 g/mol
Exact Mass453.11
IUPAC NameN-[2-[4-[(3-chlorophenyl)methoxy]piperidin-1-yl]sulfonyl-1-pyridin-3-ylethyl]-N-hydroxyformamide
SMILESO=CN(O)C(CS(=O)(=O)N1CCC(OCc2cccc(Cl)c2)CC1)c1cccnc1
InChIInChI=1S/C20H24ClN3O5S/c21-18-5-1-3-16(11-18)13-29-19-6-9-23(10-7-19)30(27,28)14-20(24(26)15-25)17-4-2-8-22-12-17/h1-5,8,11-12,15,19-20,26H,6-7,9-10,13-14H2
InChIKeyHPXIIPSUIYTSGN-UHFFFAOYSA-N
XLogP2.63
TPSA100.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.95
LogP ≤ 52.63
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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Related Compounds

N-[2-[4-(1,3-benzodioxol-5-ylmethoxy)piperidin-1-yl]sulfonyl-1-pyridin-3-ylethyl]-N-hydroxyformamide
CID 87916970
N-hydroxy-N-[2-[4-[(5-methyl-4H-thieno[3,2-c]pyridin-4-yl)oxy]piperidin-1-yl]sulfonyl-1-pyridin-3-ylethyl]formamide
CID 87982448
N-[2-[4-(2,4-dichlorophenoxy)piperidin-1-yl]sulfonyl-1-phenylethyl]-N-hydroxyformamide
CID 58685788
N-[1-[4-[(2,6-dimethyl-4-pyridinyl)methoxy]piperidin-1-yl]sulfonyl-5-pyrimidin-2-ylpentan-2-yl]-N-hydroxyformamide
CID 11755373
N-hydroxy-N-[(1R)-2-[4-(4-methyl-2-nitrophenoxy)piperidin-1-yl]sulfonyl-1-phenylethyl]formamide
CID 90996203
N-[1-cyclopropyl-2-[4-[(2-methylquinolin-4-yl)methoxy]piperidin-1-yl]sulfonylethyl]-N-hydroxyformamide
CID 87916888
4-phenylmethoxypiperidine-1-sulfonic acid
CID 174878483
1-(4-phenylmethoxypiperidin-1-yl)-2-pyridin-3-ylethanone
CID 70721630
(3-chlorophenyl)methyl pyridine-3-carboxylate
CID 3463930
(2R)-2-(1,3-benzodioxol-5-yl)-2-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]acetic acid
CID 97211190
3-[1-chloro-2-(3-chlorophenyl)ethyl]pyridine
CID 63016855
3-[[1-[[3-(difluoromethoxy)phenyl]methyl]piperidin-4-yl]oxymethyl]pyridine
CID 56886815

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(3-chlorophenyl)methoxy]piperidin-1-yl]sulfonyl-1-pyridin-3-ylethyl]-N-hydroxyformamide?
The IUPAC name of N-[2-[4-[(3-chlorophenyl)methoxy]piperidin-1-yl]sulfonyl-1-pyridin-3-ylethyl]-N-hydroxyformamide (CID 87917009) is N-[2-[4-[(3-chlorophenyl)methoxy]piperidin-1-yl]sulfonyl-1-pyridin-3-ylethyl]-N-hydroxyformamide.
What is the SMILES notation for N-[2-[4-[(3-chlorophenyl)methoxy]piperidin-1-yl]sulfonyl-1-pyridin-3-ylethyl]-N-hydroxyformamide?
The canonical SMILES for N-[2-[4-[(3-chlorophenyl)methoxy]piperidin-1-yl]sulfonyl-1-pyridin-3-ylethyl]-N-hydroxyformamide is O=CN(O)C(CS(=O)(=O)N1CCC(OCc2cccc(Cl)c2)CC1)c1cccnc1.
What is the InChIKey of N-[2-[4-[(3-chlorophenyl)methoxy]piperidin-1-yl]sulfonyl-1-pyridin-3-ylethyl]-N-hydroxyformamide?
The InChIKey is HPXIIPSUIYTSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O5S/c21-18-5-1-3-16(11-18)13-29-19-6-9-23(10-7-19)30(27,28)14-20(24(26)15-25)17-4-2-8-22-12-17/h1-5,8,11-12,15,19-20,26H,6-7,9-10,13-14H2.
What are the key properties of N-[2-[4-[(3-chlorophenyl)methoxy]piperidin-1-yl]sulfonyl-1-pyridin-3-ylethyl]-N-hydroxyformamide?
N-[2-[4-[(3-chlorophenyl)methoxy]piperidin-1-yl]sulfonyl-1-pyridin-3-ylethyl]-N-hydroxyformamide has a molecular weight of 453.95 g/mol, XLogP of 2.63, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(3-chlorophenyl)methoxy]piperidin-1-yl]sulfonyl-1-pyridin-3-ylethyl]-N-hydroxyformamide is sourced from PubChem (CID 87917009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).