(3R)-3-[4-[(2,5-dimethylphenyl)methoxy]piperidin-1-yl]sulfonyl-N-hydroxy-3-pyridin-2-ylpropanamide

C22H29N3O5S — CID 91243243

IUPAC(3R)-3-[4-[(2,5-dimethylphenyl)methoxy]piperidin-1-yl]sulfonyl-N-hydroxy-3-pyridin-2-ylpropanamide
SMILESCc1ccc(C)c(COC2CCN(S(=O)(=O)[C@H](CC(=O)NO)c3ccccn3)CC2)c1
InChIInChI=1S/C22H29N3O5S/c1-16-6-7-17(2)18(13-16)15-30-19-8-11-25(12-9-19)31(28,29)21(14-22(26)24-27)20-5-3-4-10-23-20/h3-7,10,13,19,21,27H,8-9,11-12,14-15H2,1-2H3,(H,24,26)/t21-/m1/s1
InChIKeyLGCBXSGZKBIHKO-OAQYLSRUSA-N
MW447.56 g/mol
LogP2.65
Rot. Bonds8

About (3R)-3-[4-[(2,5-dimethylphenyl)methoxy]piperidin-1-yl]sulfonyl-N-hydroxy-3-pyridin-2-ylpropanamide

(3R)-3-[4-[(2,5-dimethylphenyl)methoxy]piperidin-1-yl]sulfonyl-N-hydroxy-3-pyridin-2-ylpropanamide (PubChem CID 91243243) has the molecular formula C22H29N3O5S and a molecular weight of 447.56 g/mol. Its IUPAC name is (3R)-3-[4-[(2,5-dimethylphenyl)methoxy]piperidin-1-yl]sulfonyl-N-hydroxy-3-pyridin-2-ylpropanamide.

Molecular Properties

Compound Name(3R)-3-[4-[(2,5-dimethylphenyl)methoxy]piperidin-1-yl]sulfonyl-N-hydroxy-3-pyridin-2-ylpropanamide
PubChem CID91243243
Molecular FormulaC22H29N3O5S
Molecular Weight447.56 g/mol
Exact Mass447.18
IUPAC Name(3R)-3-[4-[(2,5-dimethylphenyl)methoxy]piperidin-1-yl]sulfonyl-N-hydroxy-3-pyridin-2-ylpropanamide
SMILESCc1ccc(C)c(COC2CCN(S(=O)(=O)[C@H](CC(=O)NO)c3ccccn3)CC2)c1
InChIInChI=1S/C22H29N3O5S/c1-16-6-7-17(2)18(13-16)15-30-19-8-11-25(12-9-19)31(28,29)21(14-22(26)24-27)20-5-3-4-10-23-20/h3-7,10,13,19,21,27H,8-9,11-12,14-15H2,1-2H3,(H,24,26)/t21-/m1/s1
InChIKeyLGCBXSGZKBIHKO-OAQYLSRUSA-N
XLogP2.65
TPSA108.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 52.65
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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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[4-[(2,5-dimethylphenyl)methoxy]piperidin-1-yl]sulfonyl-N-hydroxy-3-pyridin-2-ylpropanamide?
The IUPAC name of (3R)-3-[4-[(2,5-dimethylphenyl)methoxy]piperidin-1-yl]sulfonyl-N-hydroxy-3-pyridin-2-ylpropanamide (CID 91243243) is (3R)-3-[4-[(2,5-dimethylphenyl)methoxy]piperidin-1-yl]sulfonyl-N-hydroxy-3-pyridin-2-ylpropanamide.
What is the SMILES notation for (3R)-3-[4-[(2,5-dimethylphenyl)methoxy]piperidin-1-yl]sulfonyl-N-hydroxy-3-pyridin-2-ylpropanamide?
The canonical SMILES for (3R)-3-[4-[(2,5-dimethylphenyl)methoxy]piperidin-1-yl]sulfonyl-N-hydroxy-3-pyridin-2-ylpropanamide is Cc1ccc(C)c(COC2CCN(S(=O)(=O)[C@H](CC(=O)NO)c3ccccn3)CC2)c1.
What is the InChIKey of (3R)-3-[4-[(2,5-dimethylphenyl)methoxy]piperidin-1-yl]sulfonyl-N-hydroxy-3-pyridin-2-ylpropanamide?
The InChIKey is LGCBXSGZKBIHKO-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H29N3O5S/c1-16-6-7-17(2)18(13-16)15-30-19-8-11-25(12-9-19)31(28,29)21(14-22(26)24-27)20-5-3-4-10-23-20/h3-7,10,13,19,21,27H,8-9,11-12,14-15H2,1-2H3,(H,24,26)/t21-/m1/s1.
What are the key properties of (3R)-3-[4-[(2,5-dimethylphenyl)methoxy]piperidin-1-yl]sulfonyl-N-hydroxy-3-pyridin-2-ylpropanamide?
(3R)-3-[4-[(2,5-dimethylphenyl)methoxy]piperidin-1-yl]sulfonyl-N-hydroxy-3-pyridin-2-ylpropanamide has a molecular weight of 447.56 g/mol, XLogP of 2.65, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[4-[(2,5-dimethylphenyl)methoxy]piperidin-1-yl]sulfonyl-N-hydroxy-3-pyridin-2-ylpropanamide is sourced from PubChem (CID 91243243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).