1-[4-(4-fluorophenyl)piperidin-4-yl]sulfonyl-5-(1H-imidazol-2-yl)pentan-2-one

C19H24FN3O3S — CID 66850736

IUPAC1-[4-(4-fluorophenyl)piperidin-4-yl]sulfonyl-5-(1H-imidazol-2-yl)pentan-2-one
SMILESO=C(CCCc1ncc[nH]1)CS(=O)(=O)C1(c2ccc(F)cc2)CCNCC1
InChIInChI=1S/C19H24FN3O3S/c20-16-6-4-15(5-7-16)19(8-10-21-11-9-19)27(25,26)14-17(24)2-1-3-18-22-12-13-23-18/h4-7,12-13,21H,1-3,8-11,14H2,(H,22,23)
InChIKeyFYNFOOJGFLHGHR-UHFFFAOYSA-N
MW393.48 g/mol
LogP2.13
Rot. Bonds8

About 1-[4-(4-fluorophenyl)piperidin-4-yl]sulfonyl-5-(1H-imidazol-2-yl)pentan-2-one

1-[4-(4-fluorophenyl)piperidin-4-yl]sulfonyl-5-(1H-imidazol-2-yl)pentan-2-one (PubChem CID 66850736) has the molecular formula C19H24FN3O3S and a molecular weight of 393.48 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)piperidin-4-yl]sulfonyl-5-(1H-imidazol-2-yl)pentan-2-one.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)piperidin-4-yl]sulfonyl-5-(1H-imidazol-2-yl)pentan-2-one
PubChem CID66850736
Molecular FormulaC19H24FN3O3S
Molecular Weight393.48 g/mol
Exact Mass393.15
IUPAC Name1-[4-(4-fluorophenyl)piperidin-4-yl]sulfonyl-5-(1H-imidazol-2-yl)pentan-2-one
SMILESO=C(CCCc1ncc[nH]1)CS(=O)(=O)C1(c2ccc(F)cc2)CCNCC1
InChIInChI=1S/C19H24FN3O3S/c20-16-6-4-15(5-7-16)19(8-10-21-11-9-19)27(25,26)14-17(24)2-1-3-18-22-12-13-23-18/h4-7,12-13,21H,1-3,8-11,14H2,(H,22,23)
InChIKeyFYNFOOJGFLHGHR-UHFFFAOYSA-N
XLogP2.13
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.48
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)piperidin-4-yl]sulfonyl-5-(1H-imidazol-2-yl)pentan-2-one?
The IUPAC name of 1-[4-(4-fluorophenyl)piperidin-4-yl]sulfonyl-5-(1H-imidazol-2-yl)pentan-2-one (CID 66850736) is 1-[4-(4-fluorophenyl)piperidin-4-yl]sulfonyl-5-(1H-imidazol-2-yl)pentan-2-one.
What is the SMILES notation for 1-[4-(4-fluorophenyl)piperidin-4-yl]sulfonyl-5-(1H-imidazol-2-yl)pentan-2-one?
The canonical SMILES for 1-[4-(4-fluorophenyl)piperidin-4-yl]sulfonyl-5-(1H-imidazol-2-yl)pentan-2-one is O=C(CCCc1ncc[nH]1)CS(=O)(=O)C1(c2ccc(F)cc2)CCNCC1.
What is the InChIKey of 1-[4-(4-fluorophenyl)piperidin-4-yl]sulfonyl-5-(1H-imidazol-2-yl)pentan-2-one?
The InChIKey is FYNFOOJGFLHGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O3S/c20-16-6-4-15(5-7-16)19(8-10-21-11-9-19)27(25,26)14-17(24)2-1-3-18-22-12-13-23-18/h4-7,12-13,21H,1-3,8-11,14H2,(H,22,23).
What are the key properties of 1-[4-(4-fluorophenyl)piperidin-4-yl]sulfonyl-5-(1H-imidazol-2-yl)pentan-2-one?
1-[4-(4-fluorophenyl)piperidin-4-yl]sulfonyl-5-(1H-imidazol-2-yl)pentan-2-one has a molecular weight of 393.48 g/mol, XLogP of 2.13, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)piperidin-4-yl]sulfonyl-5-(1H-imidazol-2-yl)pentan-2-one is sourced from PubChem (CID 66850736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).