1-(5,7-dimethoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-5-phenylpentane-1,5-dione

C26H29NO6 — CID 108726326

IUPAC1-(5,7-dimethoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-5-phenylpentane-1,5-dione
SMILESCOc1cc(OC)c2c(c1)OC1(CCN(C(=O)CCCC(=O)c3ccccc3)CC1)CC2=O
InChIInChI=1S/C26H29NO6/c1-31-19-15-22(32-2)25-21(29)17-26(33-23(25)16-19)11-13-27(14-12-26)24(30)10-6-9-20(28)18-7-4-3-5-8-18/h3-5,7-8,15-16H,6,9-14,17H2,1-2H3
InChIKeyPNCNOJJZYANDLK-UHFFFAOYSA-N
MW451.52 g/mol
LogP4.08
Rot. Bonds7

About 1-(5,7-dimethoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-5-phenylpentane-1,5-dione

1-(5,7-dimethoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-5-phenylpentane-1,5-dione (PubChem CID 108726326) has the molecular formula C26H29NO6 and a molecular weight of 451.52 g/mol. Its IUPAC name is 1-(5,7-dimethoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-5-phenylpentane-1,5-dione.

Molecular Properties

Compound Name1-(5,7-dimethoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-5-phenylpentane-1,5-dione
PubChem CID108726326
Molecular FormulaC26H29NO6
Molecular Weight451.52 g/mol
Exact Mass451.20
IUPAC Name1-(5,7-dimethoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-5-phenylpentane-1,5-dione
SMILESCOc1cc(OC)c2c(c1)OC1(CCN(C(=O)CCCC(=O)c3ccccc3)CC1)CC2=O
InChIInChI=1S/C26H29NO6/c1-31-19-15-22(32-2)25-21(29)17-26(33-23(25)16-19)11-13-27(14-12-26)24(30)10-6-9-20(28)18-7-4-3-5-8-18/h3-5,7-8,15-16H,6,9-14,17H2,1-2H3
InChIKeyPNCNOJJZYANDLK-UHFFFAOYSA-N
XLogP4.08
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.52
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(5,7-dimethoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-4-(2-methoxyphenyl)butane-1,4-dione
CID 108726339
2-[2-(5,7-dimethoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-2-oxoethyl]isoindole-1,3-dione
CID 108750406
5,7-dimethoxy-1'-(4-methoxybenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108750376
1'-[2-(4-fluorophenyl)acetyl]-5,7-dimethoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108750385
1'-(3,4-dimethylbenzoyl)-5,7-dimethoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108726277
5,7-dimethoxy-4-oxo-N-phenylspiro[3H-chromene-2,4'-piperidine]-1'-carbothioamide
CID 108780314
butyl 5,7-dimethoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate
CID 108726300
5,7-dimethoxy-1'-(4-propan-2-ylbenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108726292
1'-[(E)-but-2-enoyl]-5,7-dimethoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108750369
1-(7-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-4-(4-methoxyphenyl)butane-1,4-dione
CID 108735847
1-(6-chloro-8-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-5-phenylpentane-1,5-dione
CID 108726194
1'-(3,6-dichloro-2-methoxybenzoyl)-5,7-dimethoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108726253

Frequently Asked Questions

What is the IUPAC name of 1-(5,7-dimethoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-5-phenylpentane-1,5-dione?
The IUPAC name of 1-(5,7-dimethoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-5-phenylpentane-1,5-dione (CID 108726326) is 1-(5,7-dimethoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-5-phenylpentane-1,5-dione.
What is the SMILES notation for 1-(5,7-dimethoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-5-phenylpentane-1,5-dione?
The canonical SMILES for 1-(5,7-dimethoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-5-phenylpentane-1,5-dione is COc1cc(OC)c2c(c1)OC1(CCN(C(=O)CCCC(=O)c3ccccc3)CC1)CC2=O.
What is the InChIKey of 1-(5,7-dimethoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-5-phenylpentane-1,5-dione?
The InChIKey is PNCNOJJZYANDLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO6/c1-31-19-15-22(32-2)25-21(29)17-26(33-23(25)16-19)11-13-27(14-12-26)24(30)10-6-9-20(28)18-7-4-3-5-8-18/h3-5,7-8,15-16H,6,9-14,17H2,1-2H3.
What are the key properties of 1-(5,7-dimethoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-5-phenylpentane-1,5-dione?
1-(5,7-dimethoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-5-phenylpentane-1,5-dione has a molecular weight of 451.52 g/mol, XLogP of 4.08, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,7-dimethoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-5-phenylpentane-1,5-dione is sourced from PubChem (CID 108726326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).