1'-[1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]spiro[3H-chromene-2,4'-piperidine]-4-one

C24H23FN2O4 — CID 18573660

IUPAC1'-[1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESO=C1CC2(CCN(C(=O)C3CC(=O)N(c4ccc(F)cc4)C3)CC2)Oc2ccccc21
InChIInChI=1S/C24H23FN2O4/c25-17-5-7-18(8-6-17)27-15-16(13-22(27)29)23(30)26-11-9-24(10-12-26)14-20(28)19-3-1-2-4-21(19)31-24/h1-8,16H,9-15H2
InChIKeyXFYVBHYJDBKUTB-UHFFFAOYSA-N
MW422.46 g/mol
LogP3.21
Rot. Bonds2

About 1'-[1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]spiro[3H-chromene-2,4'-piperidine]-4-one

1'-[1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]spiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 18573660) has the molecular formula C24H23FN2O4 and a molecular weight of 422.46 g/mol. Its IUPAC name is 1'-[1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]spiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-[1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]spiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID18573660
Molecular FormulaC24H23FN2O4
Molecular Weight422.46 g/mol
Exact Mass422.16
IUPAC Name1'-[1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESO=C1CC2(CCN(C(=O)C3CC(=O)N(c4ccc(F)cc4)C3)CC2)Oc2ccccc21
InChIInChI=1S/C24H23FN2O4/c25-17-5-7-18(8-6-17)27-15-16(13-22(27)29)23(30)26-11-9-24(10-12-26)14-20(28)19-3-1-2-4-21(19)31-24/h1-8,16H,9-15H2
InChIKeyXFYVBHYJDBKUTB-UHFFFAOYSA-N
XLogP3.21
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1'-[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90585966
1'-[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108809874
ethyl 4-[4-(6-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)-2-oxopyrrolidin-1-yl]benzoate
CID 108757852
1'-(1-acetylpiperidine-4-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108734267
4-(3,8-dioxa-11-azaspiro[5.6]dodecane-11-carbonyl)-1-(4-fluorophenyl)pyrrolidin-2-one
CID 139002141
1'-(1-methyl-5-oxopyrrolidine-3-carbonyl)spiro[3,4-dihydro-1,4-benzoxazepine-2,4'-piperidine]-5-one
CID 110233864
4-(2,6-dimethylmorpholine-4-carbonyl)-1-(4-fluorophenyl)pyrrolidin-2-one
CID 17310611
4-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 17118563
1'-(4,5,6,7-tetrahydro-3H-benzimidazole-5-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 90640236
N-cyclopropyl-1-[1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 42649258
1-phenyl-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 2977525
1-(4-fluorophenyl)-4-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 121060056

Frequently Asked Questions

What is the IUPAC name of 1'-[1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]spiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 1'-[1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]spiro[3H-chromene-2,4'-piperidine]-4-one (CID 18573660) is 1'-[1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]spiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 1'-[1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]spiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 1'-[1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]spiro[3H-chromene-2,4'-piperidine]-4-one is O=C1CC2(CCN(C(=O)C3CC(=O)N(c4ccc(F)cc4)C3)CC2)Oc2ccccc21.
What is the InChIKey of 1'-[1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]spiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is XFYVBHYJDBKUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O4/c25-17-5-7-18(8-6-17)27-15-16(13-22(27)29)23(30)26-11-9-24(10-12-26)14-20(28)19-3-1-2-4-21(19)31-24/h1-8,16H,9-15H2.
What are the key properties of 1'-[1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]spiro[3H-chromene-2,4'-piperidine]-4-one?
1'-[1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]spiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 422.46 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]spiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 18573660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).