1-(7-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-4-(4-methoxyphenyl)butane-1,4-dione

C25H27NO6 — CID 108735847

IUPAC1-(7-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-4-(4-methoxyphenyl)butane-1,4-dione
SMILESCOc1ccc(C(=O)CCC(=O)N2CCC3(CC2)CC(=O)c2ccc(OC)cc2O3)cc1
InChIInChI=1S/C25H27NO6/c1-30-18-5-3-17(4-6-18)21(27)9-10-24(29)26-13-11-25(12-14-26)16-22(28)20-8-7-19(31-2)15-23(20)32-25/h3-8,15H,9-14,16H2,1-2H3
InChIKeyMPOQETNZRUKZBU-UHFFFAOYSA-N
MW437.49 g/mol
LogP3.69
Rot. Bonds6

About 1-(7-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-4-(4-methoxyphenyl)butane-1,4-dione

1-(7-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-4-(4-methoxyphenyl)butane-1,4-dione (PubChem CID 108735847) has the molecular formula C25H27NO6 and a molecular weight of 437.49 g/mol. Its IUPAC name is 1-(7-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-4-(4-methoxyphenyl)butane-1,4-dione.

Molecular Properties

Compound Name1-(7-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-4-(4-methoxyphenyl)butane-1,4-dione
PubChem CID108735847
Molecular FormulaC25H27NO6
Molecular Weight437.49 g/mol
Exact Mass437.18
IUPAC Name1-(7-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-4-(4-methoxyphenyl)butane-1,4-dione
SMILESCOc1ccc(C(=O)CCC(=O)N2CCC3(CC2)CC(=O)c2ccc(OC)cc2O3)cc1
InChIInChI=1S/C25H27NO6/c1-30-18-5-3-17(4-6-18)21(27)9-10-24(29)26-13-11-25(12-14-26)16-22(28)20-8-7-19(31-2)15-23(20)32-25/h3-8,15H,9-14,16H2,1-2H3
InChIKeyMPOQETNZRUKZBU-UHFFFAOYSA-N
XLogP3.69
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.49
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(6-chloro-7-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-4-(4-methoxyphenyl)butane-1,4-dione
CID 108735302
1'-butanoyl-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735814
1'-(2-chloroacetyl)-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735805
1'-(2-cyclohexylacetyl)-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758841
1'-[4-[(4,6-dimethylpyrimidin-2-yl)amino]butanoyl]-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108810220
1'-[4-(dimethylamino)benzoyl]-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735789
prop-2-enyl 7-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate
CID 108735806
7-methoxy-1'-(oxolane-2-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735755
1-(4-chlorophenyl)-4-(6-methyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)butane-1,4-dione
CID 108734581
7-methoxy-1'-[2-(2-prop-2-enoxyphenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758942
1'-ethylsulfonyl-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 100759723
6-methoxy-1'-(3-methylbutanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758735

Frequently Asked Questions

What is the IUPAC name of 1-(7-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-4-(4-methoxyphenyl)butane-1,4-dione?
The IUPAC name of 1-(7-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-4-(4-methoxyphenyl)butane-1,4-dione (CID 108735847) is 1-(7-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-4-(4-methoxyphenyl)butane-1,4-dione.
What is the SMILES notation for 1-(7-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-4-(4-methoxyphenyl)butane-1,4-dione?
The canonical SMILES for 1-(7-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-4-(4-methoxyphenyl)butane-1,4-dione is COc1ccc(C(=O)CCC(=O)N2CCC3(CC2)CC(=O)c2ccc(OC)cc2O3)cc1.
What is the InChIKey of 1-(7-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-4-(4-methoxyphenyl)butane-1,4-dione?
The InChIKey is MPOQETNZRUKZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO6/c1-30-18-5-3-17(4-6-18)21(27)9-10-24(29)26-13-11-25(12-14-26)16-22(28)20-8-7-19(31-2)15-23(20)32-25/h3-8,15H,9-14,16H2,1-2H3.
What are the key properties of 1-(7-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-4-(4-methoxyphenyl)butane-1,4-dione?
1-(7-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-4-(4-methoxyphenyl)butane-1,4-dione has a molecular weight of 437.49 g/mol, XLogP of 3.69, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-4-(4-methoxyphenyl)butane-1,4-dione is sourced from PubChem (CID 108735847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).