4-[4-[5-(3,3-difluoropropyl)-2-pyridinyl]piperidin-1-yl]sulfonyl-N-hydroxyoxane-4-carboxamide

C19H27F2N3O5S — CID 10343582

IUPAC4-[4-[5-(3,3-difluoropropyl)-2-pyridinyl]piperidin-1-yl]sulfonyl-N-hydroxyoxane-4-carboxamide
SMILESO=C(NO)C1(S(=O)(=O)N2CCC(c3ccc(CCC(F)F)cn3)CC2)CCOCC1
InChIInChI=1S/C19H27F2N3O5S/c20-17(21)4-2-14-1-3-16(22-13-14)15-5-9-24(10-6-15)30(27,28)19(18(25)23-26)7-11-29-12-8-19/h1,3,13,15,17,26H,2,4-12H2,(H,23,25)
InChIKeyDASLTQHJHXCHLM-UHFFFAOYSA-N
MW447.50 g/mol
LogP1.84
Rot. Bonds7

About 4-[4-[5-(3,3-difluoropropyl)-2-pyridinyl]piperidin-1-yl]sulfonyl-N-hydroxyoxane-4-carboxamide

4-[4-[5-(3,3-difluoropropyl)-2-pyridinyl]piperidin-1-yl]sulfonyl-N-hydroxyoxane-4-carboxamide (PubChem CID 10343582) has the molecular formula C19H27F2N3O5S and a molecular weight of 447.50 g/mol. Its IUPAC name is 4-[4-[5-(3,3-difluoropropyl)-2-pyridinyl]piperidin-1-yl]sulfonyl-N-hydroxyoxane-4-carboxamide.

Molecular Properties

Compound Name4-[4-[5-(3,3-difluoropropyl)-2-pyridinyl]piperidin-1-yl]sulfonyl-N-hydroxyoxane-4-carboxamide
PubChem CID10343582
Molecular FormulaC19H27F2N3O5S
Molecular Weight447.50 g/mol
Exact Mass447.16
IUPAC Name4-[4-[5-(3,3-difluoropropyl)-2-pyridinyl]piperidin-1-yl]sulfonyl-N-hydroxyoxane-4-carboxamide
SMILESO=C(NO)C1(S(=O)(=O)N2CCC(c3ccc(CCC(F)F)cn3)CC2)CCOCC1
InChIInChI=1S/C19H27F2N3O5S/c20-17(21)4-2-14-1-3-16(22-13-14)15-5-9-24(10-6-15)30(27,28)19(18(25)23-26)7-11-29-12-8-19/h1,3,13,15,17,26H,2,4-12H2,(H,23,25)
InChIKeyDASLTQHJHXCHLM-UHFFFAOYSA-N
XLogP1.84
TPSA108.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.50
LogP ≤ 51.84
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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Related Compounds

(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-3-[(5R)-3-[4-[2-(trifluoromethyl)pyridin-4-yl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]propanamide
CID 118469079
(2R)-N-hydroxy-2-methyl-2-methylsulfonyl-3-[(5R)-3-[4-[6-(trifluoromethyl)pyridin-3-yl]phenyl]-4,5-dihydro-1,2-oxazol-5-yl]propanamide
CID 118469155
N-(4-((4-(2-(2,5-dimethylpyridin-4-yl)ethyl)piperidin-1-ylsulfonyl)methyl)tetrahydro-2H-pyran-4-yl)-N-hydroxyformamide
CID 54580051
N-hydroxy-N-(4-((4-(2-(4-methylpyridin-3-yl)ethyl)piperidin-1-ylsulfonyl)methyl)tetrahydro-2H-pyran-4-yl)formamide
CID 54582080
N-(4-((4-(2-(2,5-dimethylpyridin-3-yl)ethyl)piperidin-1-ylsulfonyl)methyl)tetrahydro-2H-pyran-4-yl)-N-hydroxyformamide
CID 54583019
N-hydroxy-N-(4-((4-(2-(3-methylpyridin-2-yl)ethyl)piperidin-1-ylsulfonyl)methyl)tetrahydro-2H-pyran-4-yl)formamide
CID 54584025
N-hydroxy-N-(4-((4-(2-(2-methylpyridin-3-yl)ethyl)piperidin-1-ylsulfonyl)methyl)tetrahydro-2H-pyran-4-yl)formamide
CID 54586896
N-(4-((4-(2-(4,6-dimethylpyridin-3-yl)ethyl)piperidin-1-ylsulfonyl)methyl)tetrahydro-2H-pyran-4-yl)-N-hydroxyformamide
CID 54586899
N-hydroxy-N-[4-[[4-[2-(3-methyl-4-pyridinyl)ethyl]piperidin-1-yl]sulfonylmethyl]oxan-4-yl]formamide
CID 146047208
N-hydroxy-1-[4-[5-(3,3,4,4,4-pentafluorobutyl)pyridin-2-yl]piperidin-1-yl]sulfonylcyclopent-3-ene-1-carboxamide
CID 9983334
N-hydroxy-2-[4-[5-(3,3,4,4,4-pentafluorobutyl)pyridin-2-yl]piperidin-1-yl]sulfonyl-2-prop-2-enylpent-4-enamide
CID 9984336
N-hydroxy-4-methoxy-2-(2-methoxyethyl)-2-[4-[5-(3,3,4,4,4-pentafluorobutyl)pyridin-2-yl]piperidin-1-yl]sulfonylbutanamide
CID 9985290

Frequently Asked Questions

What is the IUPAC name of 4-[4-[5-(3,3-difluoropropyl)-2-pyridinyl]piperidin-1-yl]sulfonyl-N-hydroxyoxane-4-carboxamide?
The IUPAC name of 4-[4-[5-(3,3-difluoropropyl)-2-pyridinyl]piperidin-1-yl]sulfonyl-N-hydroxyoxane-4-carboxamide (CID 10343582) is 4-[4-[5-(3,3-difluoropropyl)-2-pyridinyl]piperidin-1-yl]sulfonyl-N-hydroxyoxane-4-carboxamide.
What is the SMILES notation for 4-[4-[5-(3,3-difluoropropyl)-2-pyridinyl]piperidin-1-yl]sulfonyl-N-hydroxyoxane-4-carboxamide?
The canonical SMILES for 4-[4-[5-(3,3-difluoropropyl)-2-pyridinyl]piperidin-1-yl]sulfonyl-N-hydroxyoxane-4-carboxamide is O=C(NO)C1(S(=O)(=O)N2CCC(c3ccc(CCC(F)F)cn3)CC2)CCOCC1.
What is the InChIKey of 4-[4-[5-(3,3-difluoropropyl)-2-pyridinyl]piperidin-1-yl]sulfonyl-N-hydroxyoxane-4-carboxamide?
The InChIKey is DASLTQHJHXCHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27F2N3O5S/c20-17(21)4-2-14-1-3-16(22-13-14)15-5-9-24(10-6-15)30(27,28)19(18(25)23-26)7-11-29-12-8-19/h1,3,13,15,17,26H,2,4-12H2,(H,23,25).
What are the key properties of 4-[4-[5-(3,3-difluoropropyl)-2-pyridinyl]piperidin-1-yl]sulfonyl-N-hydroxyoxane-4-carboxamide?
4-[4-[5-(3,3-difluoropropyl)-2-pyridinyl]piperidin-1-yl]sulfonyl-N-hydroxyoxane-4-carboxamide has a molecular weight of 447.50 g/mol, XLogP of 1.84, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[5-(3,3-difluoropropyl)-2-pyridinyl]piperidin-1-yl]sulfonyl-N-hydroxyoxane-4-carboxamide is sourced from PubChem (CID 10343582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).