1'-[(4-fluorophenyl)methylsulfonyl]spiro[3H-chromene-2,4'-piperidine]-4-one

C20H20FNO4S — CID 100758878

IUPAC1'-[(4-fluorophenyl)methylsulfonyl]spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESO=C1CC2(CCN(S(=O)(=O)Cc3ccc(F)cc3)CC2)Oc2ccccc21
InChIInChI=1S/C20H20FNO4S/c21-16-7-5-15(6-8-16)14-27(24,25)22-11-9-20(10-12-22)13-18(23)17-3-1-2-4-19(17)26-20/h1-8H,9-14H2
InChIKeyAWMNOAAUDLHHFX-UHFFFAOYSA-N
MW389.45 g/mol
LogP3.16
Rot. Bonds3

About 1'-[(4-fluorophenyl)methylsulfonyl]spiro[3H-chromene-2,4'-piperidine]-4-one

1'-[(4-fluorophenyl)methylsulfonyl]spiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 100758878) has the molecular formula C20H20FNO4S and a molecular weight of 389.45 g/mol. Its IUPAC name is 1'-[(4-fluorophenyl)methylsulfonyl]spiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-[(4-fluorophenyl)methylsulfonyl]spiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID100758878
Molecular FormulaC20H20FNO4S
Molecular Weight389.45 g/mol
Exact Mass389.11
IUPAC Name1'-[(4-fluorophenyl)methylsulfonyl]spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESO=C1CC2(CCN(S(=O)(=O)Cc3ccc(F)cc3)CC2)Oc2ccccc21
InChIInChI=1S/C20H20FNO4S/c21-16-7-5-15(6-8-16)14-27(24,25)22-11-9-20(10-12-22)13-18(23)17-3-1-2-4-19(17)26-20/h1-8H,9-14H2
InChIKeyAWMNOAAUDLHHFX-UHFFFAOYSA-N
XLogP3.16
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-[(4-fluorophenyl)methylsulfonyl]spiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 1'-[(4-fluorophenyl)methylsulfonyl]spiro[3H-chromene-2,4'-piperidine]-4-one (CID 100758878) is 1'-[(4-fluorophenyl)methylsulfonyl]spiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 1'-[(4-fluorophenyl)methylsulfonyl]spiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 1'-[(4-fluorophenyl)methylsulfonyl]spiro[3H-chromene-2,4'-piperidine]-4-one is O=C1CC2(CCN(S(=O)(=O)Cc3ccc(F)cc3)CC2)Oc2ccccc21.
What is the InChIKey of 1'-[(4-fluorophenyl)methylsulfonyl]spiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is AWMNOAAUDLHHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNO4S/c21-16-7-5-15(6-8-16)14-27(24,25)22-11-9-20(10-12-22)13-18(23)17-3-1-2-4-19(17)26-20/h1-8H,9-14H2.
What are the key properties of 1'-[(4-fluorophenyl)methylsulfonyl]spiro[3H-chromene-2,4'-piperidine]-4-one?
1'-[(4-fluorophenyl)methylsulfonyl]spiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 389.45 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(4-fluorophenyl)methylsulfonyl]spiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 100758878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).