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

C22H23NO5 — CID 7260601

IUPAC1'-[2-(3-methoxyphenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCOc1cccc(OCC(=O)N2CCC3(CC2)CC(=O)c2ccccc2O3)c1
InChIInChI=1S/C22H23NO5/c1-26-16-5-4-6-17(13-16)27-15-21(25)23-11-9-22(10-12-23)14-19(24)18-7-2-3-8-20(18)28-22/h2-8,13H,9-12,14-15H2,1H3
InChIKeyHYUAASKEBBNJDC-UHFFFAOYSA-N
MW381.43 g/mol
LogP3.10
Rot. Bonds4

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

1'-[2-(3-methoxyphenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 7260601) has the molecular formula C22H23NO5 and a molecular weight of 381.43 g/mol. Its IUPAC name is 1'-[2-(3-methoxyphenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-[2-(3-methoxyphenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID7260601
Molecular FormulaC22H23NO5
Molecular Weight381.43 g/mol
Exact Mass381.16
IUPAC Name1'-[2-(3-methoxyphenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCOc1cccc(OCC(=O)N2CCC3(CC2)CC(=O)c2ccccc2O3)c1
InChIInChI=1S/C22H23NO5/c1-26-16-5-4-6-17(13-16)27-15-21(25)23-11-9-22(10-12-23)14-19(24)18-7-2-3-8-20(18)28-22/h2-8,13H,9-12,14-15H2,1H3
InChIKeyHYUAASKEBBNJDC-UHFFFAOYSA-N
XLogP3.10
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1'-[2-(3-methoxyphenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 1'-[2-(3-methoxyphenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one (CID 7260601) is 1'-[2-(3-methoxyphenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 1'-[2-(3-methoxyphenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 1'-[2-(3-methoxyphenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one is COc1cccc(OCC(=O)N2CCC3(CC2)CC(=O)c2ccccc2O3)c1.
What is the InChIKey of 1'-[2-(3-methoxyphenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is HYUAASKEBBNJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO5/c1-26-16-5-4-6-17(13-16)27-15-21(25)23-11-9-22(10-12-23)14-19(24)18-7-2-3-8-20(18)28-22/h2-8,13H,9-12,14-15H2,1H3.
What are the key properties of 1'-[2-(3-methoxyphenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one?
1'-[2-(3-methoxyphenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 381.43 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[2-(3-methoxyphenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 7260601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).