1'-[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]spiro[3H-chromene-2,4'-piperidine]-4-one

C24H25NO5 — CID 108757650

IUPAC1'-[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCOc1ccc(OC)c(/C=C/C(=O)N2CCC3(CC2)CC(=O)c2ccccc2O3)c1
InChIInChI=1S/C24H25NO5/c1-28-18-8-9-21(29-2)17(15-18)7-10-23(27)25-13-11-24(12-14-25)16-20(26)19-5-3-4-6-22(19)30-24/h3-10,15H,11-14,16H2,1-2H3/b10-7+
InChIKeyBMMOVSLYFIDPHK-JXMROGBWSA-N
MW407.47 g/mol
LogP3.74
Rot. Bonds4

About 1'-[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]spiro[3H-chromene-2,4'-piperidine]-4-one

1'-[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]spiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 108757650) has the molecular formula C24H25NO5 and a molecular weight of 407.47 g/mol. Its IUPAC name is 1'-[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]spiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]spiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID108757650
Molecular FormulaC24H25NO5
Molecular Weight407.47 g/mol
Exact Mass407.17
IUPAC Name1'-[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCOc1ccc(OC)c(/C=C/C(=O)N2CCC3(CC2)CC(=O)c2ccccc2O3)c1
InChIInChI=1S/C24H25NO5/c1-28-18-8-9-21(29-2)17(15-18)7-10-23(27)25-13-11-24(12-14-25)16-20(26)19-5-3-4-6-22(19)30-24/h3-10,15H,11-14,16H2,1-2H3/b10-7+
InChIKeyBMMOVSLYFIDPHK-JXMROGBWSA-N
XLogP3.74
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1'-[(E)-3-(2-chlorophenyl)prop-2-enoyl]-6-methoxyspiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 108768690
1'-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-6-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758778
(E)-3-(2,5-dimethoxyphenyl)-1-pyrrolidin-1-ylprop-2-en-1-one
CID 51058065
6-chloro-1'-[(E)-3-(2,4-dimethoxyphenyl)prop-2-enoyl]-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108750316
6-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylic acid
CID 67468525
1'-[(E)-3-(4-methoxyphenyl)-2-phenylprop-2-enoyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108757601
(E)-3-(2,5-dimethoxyphenyl)-1-[4-(2-methoxyphenyl)piperazin-1-yl]prop-2-en-1-one
CID 2597877
1'-[(E)-but-2-enoyl]-5,7-dimethoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108750369
1'-[(2E,4E)-hexa-2,4-dienoyl]-6-methoxyspiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 108746393
6-methoxy-1'-(2-methoxybenzoyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 108768631
1'-[3-(2,4,6-trimethoxyphenyl)propanoyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90586182
1'-[2-(3-methoxyphenyl)acetyl]spiro[3H-chromene-2,4'-azepane]-4-one
CID 164691259

Frequently Asked Questions

What is the IUPAC name of 1'-[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]spiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 1'-[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]spiro[3H-chromene-2,4'-piperidine]-4-one (CID 108757650) is 1'-[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]spiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 1'-[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]spiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 1'-[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]spiro[3H-chromene-2,4'-piperidine]-4-one is COc1ccc(OC)c(/C=C/C(=O)N2CCC3(CC2)CC(=O)c2ccccc2O3)c1.
What is the InChIKey of 1'-[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]spiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is BMMOVSLYFIDPHK-JXMROGBWSA-N. The full InChI is InChI=1S/C24H25NO5/c1-28-18-8-9-21(29-2)17(15-18)7-10-23(27)25-13-11-24(12-14-25)16-20(26)19-5-3-4-6-22(19)30-24/h3-10,15H,11-14,16H2,1-2H3/b10-7+.
What are the key properties of 1'-[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]spiro[3H-chromene-2,4'-piperidine]-4-one?
1'-[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]spiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 407.47 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[(E)-3-(2,5-dimethoxyphenyl)prop-2-enoyl]spiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 108757650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).