4-[4-[5-(2,2-difluoropropoxy)-2-pyridinyl]piperidin-1-yl]sulfonyl-N-hydroxyoxane-4-carboxamide

C19H27F2N3O6S — CID 11754138

IUPAC4-[4-[5-(2,2-difluoropropoxy)-2-pyridinyl]piperidin-1-yl]sulfonyl-N-hydroxyoxane-4-carboxamide
SMILESCC(F)(F)COc1ccc(C2CCN(S(=O)(=O)C3(C(=O)NO)CCOCC3)CC2)nc1
InChIInChI=1S/C19H27F2N3O6S/c1-18(20,21)13-30-15-2-3-16(22-12-15)14-4-8-24(9-5-14)31(27,28)19(17(25)23-26)6-10-29-11-7-19/h2-3,12,14,26H,4-11,13H2,1H3,(H,23,25)
InChIKeyAJDJVUXNXVXAIH-UHFFFAOYSA-N
MW463.50 g/mol
LogP1.68
Rot. Bonds7

About 4-[4-[5-(2,2-difluoropropoxy)-2-pyridinyl]piperidin-1-yl]sulfonyl-N-hydroxyoxane-4-carboxamide

4-[4-[5-(2,2-difluoropropoxy)-2-pyridinyl]piperidin-1-yl]sulfonyl-N-hydroxyoxane-4-carboxamide (PubChem CID 11754138) has the molecular formula C19H27F2N3O6S and a molecular weight of 463.50 g/mol. Its IUPAC name is 4-[4-[5-(2,2-difluoropropoxy)-2-pyridinyl]piperidin-1-yl]sulfonyl-N-hydroxyoxane-4-carboxamide.

Molecular Properties

Compound Name4-[4-[5-(2,2-difluoropropoxy)-2-pyridinyl]piperidin-1-yl]sulfonyl-N-hydroxyoxane-4-carboxamide
PubChem CID11754138
Molecular FormulaC19H27F2N3O6S
Molecular Weight463.50 g/mol
Exact Mass463.16
IUPAC Name4-[4-[5-(2,2-difluoropropoxy)-2-pyridinyl]piperidin-1-yl]sulfonyl-N-hydroxyoxane-4-carboxamide
SMILESCC(F)(F)COc1ccc(C2CCN(S(=O)(=O)C3(C(=O)NO)CCOCC3)CC2)nc1
InChIInChI=1S/C19H27F2N3O6S/c1-18(20,21)13-30-15-2-3-16(22-12-15)14-4-8-24(9-5-14)31(27,28)19(17(25)23-26)6-10-29-11-7-19/h2-3,12,14,26H,4-11,13H2,1H3,(H,23,25)
InChIKeyAJDJVUXNXVXAIH-UHFFFAOYSA-N
XLogP1.68
TPSA118.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.50
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

4-[4-(Pyridin-3-yloxy)-benzenesulfonylamino]-tetrahydro-pyran-4-carboxylic acid hydroxyamide
CID 44342308
N-hydroxy-2-methyl-2-methylsulfonyl-4-[4-(pyridin-2-ylmethoxy)phenyl]butanamide
CID 51355579
N-hydroxy-2-methyl-4-[4-[(3-methyl-2-pyridinyl)methoxy]phenyl]-2-methylsulfonylbutanamide
CID 91663412
US20240400579, Example 247A
CID 168907459
N-hydroxy-4-[4-[5-(2,2,2-trifluoroethoxymethyl)pyridin-2-yl]piperidin-1-yl]sulfonyloxane-4-carboxamide
CID 10050863
N-hydroxy-4-[4-[5-(2,2,2-trifluoroethoxy)pyridin-2-yl]piperidin-1-yl]sulfonyloxane-4-carboxamide
CID 10096121
N-hydroxy-4-[4-[5-(4,4,4-trifluorobutoxy)pyridin-2-yl]phenyl]sulfonyloxane-4-carboxamide
CID 10390777
N-hydroxy-4-[4-[5-(2,2,3,3,3-pentafluoropropoxy)pyridin-2-yl]piperidin-1-yl]sulfonyloxane-4-carboxamide
CID 10414222
N-hydroxy-4-[4-[5-(2,2,3,3-tetrafluoropropoxy)-2-pyridinyl]piperidin-1-yl]sulfonyloxane-4-carboxamide
CID 10458603
N-hydroxy-2-(pyridin-2-ylmethyl)-2-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfonylbutanamide
CID 18723037
N-hydroxy-4-[4-[5-(3,3,3-trifluoropropoxy)pyridin-2-yl]piperidin-1-yl]sulfonyloxane-4-carboxamide
CID 21068961
4-[dihydroxy-[4-[5-(2,2,3,3-tetrafluoropropoxy)-2-pyridinyl]piperidin-1-yl]-lambda4-sulfanyl]-N-hydroxyoxane-4-carboxamide
CID 21069163

Frequently Asked Questions

What is the IUPAC name of 4-[4-[5-(2,2-difluoropropoxy)-2-pyridinyl]piperidin-1-yl]sulfonyl-N-hydroxyoxane-4-carboxamide?
The IUPAC name of 4-[4-[5-(2,2-difluoropropoxy)-2-pyridinyl]piperidin-1-yl]sulfonyl-N-hydroxyoxane-4-carboxamide (CID 11754138) is 4-[4-[5-(2,2-difluoropropoxy)-2-pyridinyl]piperidin-1-yl]sulfonyl-N-hydroxyoxane-4-carboxamide.
What is the SMILES notation for 4-[4-[5-(2,2-difluoropropoxy)-2-pyridinyl]piperidin-1-yl]sulfonyl-N-hydroxyoxane-4-carboxamide?
The canonical SMILES for 4-[4-[5-(2,2-difluoropropoxy)-2-pyridinyl]piperidin-1-yl]sulfonyl-N-hydroxyoxane-4-carboxamide is CC(F)(F)COc1ccc(C2CCN(S(=O)(=O)C3(C(=O)NO)CCOCC3)CC2)nc1.
What is the InChIKey of 4-[4-[5-(2,2-difluoropropoxy)-2-pyridinyl]piperidin-1-yl]sulfonyl-N-hydroxyoxane-4-carboxamide?
The InChIKey is AJDJVUXNXVXAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27F2N3O6S/c1-18(20,21)13-30-15-2-3-16(22-12-15)14-4-8-24(9-5-14)31(27,28)19(17(25)23-26)6-10-29-11-7-19/h2-3,12,14,26H,4-11,13H2,1H3,(H,23,25).
What are the key properties of 4-[4-[5-(2,2-difluoropropoxy)-2-pyridinyl]piperidin-1-yl]sulfonyl-N-hydroxyoxane-4-carboxamide?
4-[4-[5-(2,2-difluoropropoxy)-2-pyridinyl]piperidin-1-yl]sulfonyl-N-hydroxyoxane-4-carboxamide has a molecular weight of 463.50 g/mol, XLogP of 1.68, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[5-(2,2-difluoropropoxy)-2-pyridinyl]piperidin-1-yl]sulfonyl-N-hydroxyoxane-4-carboxamide is sourced from PubChem (CID 11754138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).