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

C22H23NO4 — CID 16822501

IUPAC1'-(2-phenoxypropanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCC(Oc1ccccc1)C(=O)N1CCC2(CC1)CC(=O)c1ccccc1O2
InChIInChI=1S/C22H23NO4/c1-16(26-17-7-3-2-4-8-17)21(25)23-13-11-22(12-14-23)15-19(24)18-9-5-6-10-20(18)27-22/h2-10,16H,11-15H2,1H3
InChIKeyJRSISVDEBRYQJZ-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.48
Rot. Bonds3

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

1'-(2-phenoxypropanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 16822501) has the molecular formula C22H23NO4 and a molecular weight of 365.43 g/mol. Its IUPAC name is 1'-(2-phenoxypropanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-(2-phenoxypropanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID16822501
Molecular FormulaC22H23NO4
Molecular Weight365.43 g/mol
Exact Mass365.16
IUPAC Name1'-(2-phenoxypropanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCC(Oc1ccccc1)C(=O)N1CCC2(CC1)CC(=O)c1ccccc1O2
InChIInChI=1S/C22H23NO4/c1-16(26-17-7-3-2-4-8-17)21(25)23-13-11-22(12-14-23)15-19(24)18-9-5-6-10-20(18)27-22/h2-10,16H,11-15H2,1H3
InChIKeyJRSISVDEBRYQJZ-UHFFFAOYSA-N
XLogP3.48
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-(2-phenoxypropanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 1'-(2-phenoxypropanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one (CID 16822501) is 1'-(2-phenoxypropanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 1'-(2-phenoxypropanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 1'-(2-phenoxypropanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one is CC(Oc1ccccc1)C(=O)N1CCC2(CC1)CC(=O)c1ccccc1O2.
What is the InChIKey of 1'-(2-phenoxypropanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is JRSISVDEBRYQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO4/c1-16(26-17-7-3-2-4-8-17)21(25)23-13-11-22(12-14-23)15-19(24)18-9-5-6-10-20(18)27-22/h2-10,16H,11-15H2,1H3.
What are the key properties of 1'-(2-phenoxypropanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
1'-(2-phenoxypropanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 365.43 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(2-phenoxypropanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 16822501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).