1'-[2-(4-fluorophenyl)-2-hydroxyacetyl]-1-methylspiro[indole-3,4'-piperidine]-2-one

C21H21FN2O3 — CID 56908000

IUPAC1'-[2-(4-fluorophenyl)-2-hydroxyacetyl]-1-methylspiro[indole-3,4'-piperidine]-2-one
SMILESCN1C(=O)C2(CCN(C(=O)C(O)c3ccc(F)cc3)CC2)c2ccccc21
InChIInChI=1S/C21H21FN2O3/c1-23-17-5-3-2-4-16(17)21(20(23)27)10-12-24(13-11-21)19(26)18(25)14-6-8-15(22)9-7-14/h2-9,18,25H,10-13H2,1H3
InChIKeyZHOMMHSLTAEQBZ-UHFFFAOYSA-N
MW368.41 g/mol
LogP2.40
Rot. Bonds2

About 1'-[2-(4-fluorophenyl)-2-hydroxyacetyl]-1-methylspiro[indole-3,4'-piperidine]-2-one

1'-[2-(4-fluorophenyl)-2-hydroxyacetyl]-1-methylspiro[indole-3,4'-piperidine]-2-one (PubChem CID 56908000) has the molecular formula C21H21FN2O3 and a molecular weight of 368.41 g/mol. Its IUPAC name is 1'-[2-(4-fluorophenyl)-2-hydroxyacetyl]-1-methylspiro[indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-[2-(4-fluorophenyl)-2-hydroxyacetyl]-1-methylspiro[indole-3,4'-piperidine]-2-one
PubChem CID56908000
Molecular FormulaC21H21FN2O3
Molecular Weight368.41 g/mol
Exact Mass368.15
IUPAC Name1'-[2-(4-fluorophenyl)-2-hydroxyacetyl]-1-methylspiro[indole-3,4'-piperidine]-2-one
SMILESCN1C(=O)C2(CCN(C(=O)C(O)c3ccc(F)cc3)CC2)c2ccccc21
InChIInChI=1S/C21H21FN2O3/c1-23-17-5-3-2-4-16(17)21(20(23)27)10-12-24(13-11-21)19(26)18(25)14-6-8-15(22)9-7-14/h2-9,18,25H,10-13H2,1H3
InChIKeyZHOMMHSLTAEQBZ-UHFFFAOYSA-N
XLogP2.40
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-[2-(4-fluorophenyl)-2-hydroxyacetyl]-1-methylspiro[indole-3,4'-piperidine]-2-one?
The IUPAC name of 1'-[2-(4-fluorophenyl)-2-hydroxyacetyl]-1-methylspiro[indole-3,4'-piperidine]-2-one (CID 56908000) is 1'-[2-(4-fluorophenyl)-2-hydroxyacetyl]-1-methylspiro[indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-[2-(4-fluorophenyl)-2-hydroxyacetyl]-1-methylspiro[indole-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-[2-(4-fluorophenyl)-2-hydroxyacetyl]-1-methylspiro[indole-3,4'-piperidine]-2-one is CN1C(=O)C2(CCN(C(=O)C(O)c3ccc(F)cc3)CC2)c2ccccc21.
What is the InChIKey of 1'-[2-(4-fluorophenyl)-2-hydroxyacetyl]-1-methylspiro[indole-3,4'-piperidine]-2-one?
The InChIKey is ZHOMMHSLTAEQBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O3/c1-23-17-5-3-2-4-16(17)21(20(23)27)10-12-24(13-11-21)19(26)18(25)14-6-8-15(22)9-7-14/h2-9,18,25H,10-13H2,1H3.
What are the key properties of 1'-[2-(4-fluorophenyl)-2-hydroxyacetyl]-1-methylspiro[indole-3,4'-piperidine]-2-one?
1'-[2-(4-fluorophenyl)-2-hydroxyacetyl]-1-methylspiro[indole-3,4'-piperidine]-2-one has a molecular weight of 368.41 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[2-(4-fluorophenyl)-2-hydroxyacetyl]-1-methylspiro[indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 56908000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).