N-[1-(4-fluorobenzoyl)piperidin-4-yl]-6-[1-(4-methylphenyl)piperidin-4-yl]oxypyridine-3-sulfonamide

C29H33FN4O4S — CID 69031783

IUPACN-[1-(4-fluorobenzoyl)piperidin-4-yl]-6-[1-(4-methylphenyl)piperidin-4-yl]oxypyridine-3-sulfonamide
SMILESCc1ccc(N2CCC(Oc3ccc(S(=O)(=O)NC4CCN(C(=O)c5ccc(F)cc5)CC4)cn3)CC2)cc1
InChIInChI=1S/C29H33FN4O4S/c1-21-2-8-25(9-3-21)33-18-14-26(15-19-33)38-28-11-10-27(20-31-28)39(36,37)32-24-12-16-34(17-13-24)29(35)22-4-6-23(30)7-5-22/h2-11,20,24,26,32H,12-19H2,1H3
InChIKeyLONPZJAHQPUMRG-UHFFFAOYSA-N
MW552.67 g/mol
LogP4.16
Rot. Bonds7

About N-[1-(4-fluorobenzoyl)piperidin-4-yl]-6-[1-(4-methylphenyl)piperidin-4-yl]oxypyridine-3-sulfonamide

N-[1-(4-fluorobenzoyl)piperidin-4-yl]-6-[1-(4-methylphenyl)piperidin-4-yl]oxypyridine-3-sulfonamide (PubChem CID 69031783) has the molecular formula C29H33FN4O4S and a molecular weight of 552.67 g/mol. Its IUPAC name is N-[1-(4-fluorobenzoyl)piperidin-4-yl]-6-[1-(4-methylphenyl)piperidin-4-yl]oxypyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[1-(4-fluorobenzoyl)piperidin-4-yl]-6-[1-(4-methylphenyl)piperidin-4-yl]oxypyridine-3-sulfonamide
PubChem CID69031783
Molecular FormulaC29H33FN4O4S
Molecular Weight552.67 g/mol
Exact Mass552.22
IUPAC NameN-[1-(4-fluorobenzoyl)piperidin-4-yl]-6-[1-(4-methylphenyl)piperidin-4-yl]oxypyridine-3-sulfonamide
SMILESCc1ccc(N2CCC(Oc3ccc(S(=O)(=O)NC4CCN(C(=O)c5ccc(F)cc5)CC4)cn3)CC2)cc1
InChIInChI=1S/C29H33FN4O4S/c1-21-2-8-25(9-3-21)33-18-14-26(15-19-33)38-28-11-10-27(20-31-28)39(36,37)32-24-12-16-34(17-13-24)29(35)22-4-6-23(30)7-5-22/h2-11,20,24,26,32H,12-19H2,1H3
InChIKeyLONPZJAHQPUMRG-UHFFFAOYSA-N
XLogP4.16
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500552.67
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorobenzoyl)piperidin-4-yl]-6-[1-(4-methylphenyl)piperidin-4-yl]oxypyridine-3-sulfonamide?
The IUPAC name of N-[1-(4-fluorobenzoyl)piperidin-4-yl]-6-[1-(4-methylphenyl)piperidin-4-yl]oxypyridine-3-sulfonamide (CID 69031783) is N-[1-(4-fluorobenzoyl)piperidin-4-yl]-6-[1-(4-methylphenyl)piperidin-4-yl]oxypyridine-3-sulfonamide.
What is the SMILES notation for N-[1-(4-fluorobenzoyl)piperidin-4-yl]-6-[1-(4-methylphenyl)piperidin-4-yl]oxypyridine-3-sulfonamide?
The canonical SMILES for N-[1-(4-fluorobenzoyl)piperidin-4-yl]-6-[1-(4-methylphenyl)piperidin-4-yl]oxypyridine-3-sulfonamide is Cc1ccc(N2CCC(Oc3ccc(S(=O)(=O)NC4CCN(C(=O)c5ccc(F)cc5)CC4)cn3)CC2)cc1.
What is the InChIKey of N-[1-(4-fluorobenzoyl)piperidin-4-yl]-6-[1-(4-methylphenyl)piperidin-4-yl]oxypyridine-3-sulfonamide?
The InChIKey is LONPZJAHQPUMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33FN4O4S/c1-21-2-8-25(9-3-21)33-18-14-26(15-19-33)38-28-11-10-27(20-31-28)39(36,37)32-24-12-16-34(17-13-24)29(35)22-4-6-23(30)7-5-22/h2-11,20,24,26,32H,12-19H2,1H3.
What are the key properties of N-[1-(4-fluorobenzoyl)piperidin-4-yl]-6-[1-(4-methylphenyl)piperidin-4-yl]oxypyridine-3-sulfonamide?
N-[1-(4-fluorobenzoyl)piperidin-4-yl]-6-[1-(4-methylphenyl)piperidin-4-yl]oxypyridine-3-sulfonamide has a molecular weight of 552.67 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorobenzoyl)piperidin-4-yl]-6-[1-(4-methylphenyl)piperidin-4-yl]oxypyridine-3-sulfonamide is sourced from PubChem (CID 69031783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).