7-methoxy-1'-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one

C24H27NO4S — CID 110243498

IUPAC7-methoxy-1'-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCOc1ccc2c(c1)OC1(CCN(C(=O)c3csc4c3CCC(C)C4)CC1)CC2=O
InChIInChI=1S/C24H27NO4S/c1-15-3-5-17-19(14-30-22(17)11-15)23(27)25-9-7-24(8-10-25)13-20(26)18-6-4-16(28-2)12-21(18)29-24/h4,6,12,14-15H,3,5,7-11,13H2,1-2H3
InChIKeyQRFMJXWQHMJVRL-UHFFFAOYSA-N
MW425.55 g/mol
LogP4.52
Rot. Bonds2

About 7-methoxy-1'-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one

7-methoxy-1'-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 110243498) has the molecular formula C24H27NO4S and a molecular weight of 425.55 g/mol. Its IUPAC name is 7-methoxy-1'-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name7-methoxy-1'-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID110243498
Molecular FormulaC24H27NO4S
Molecular Weight425.55 g/mol
Exact Mass425.17
IUPAC Name7-methoxy-1'-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCOc1ccc2c(c1)OC1(CCN(C(=O)c3csc4c3CCC(C)C4)CC1)CC2=O
InChIInChI=1S/C24H27NO4S/c1-15-3-5-17-19(14-30-22(17)11-15)23(27)25-9-7-24(8-10-25)13-20(26)18-6-4-16(28-2)12-21(18)29-24/h4,6,12,14-15H,3,5,7-11,13H2,1-2H3
InChIKeyQRFMJXWQHMJVRL-UHFFFAOYSA-N
XLogP4.52
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1'-[4-(dimethylamino)benzoyl]-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735789
7-methoxy-1'-(oxolane-2-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735755
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
(4-methylpiperidin-1-yl)-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methanone
CID 25236486
1'-butanoyl-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735814
prop-2-enyl 7-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate
CID 108735806
1-(7-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-4-(4-methoxyphenyl)butane-1,4-dione
CID 108735847
tert-butyl (2R)-7-methoxy-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-carboxylate
CID 125451881
[4-(6-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)phenyl] acetate
CID 108735604
1'-[1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbonyl]-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735844
2-(7-methoxy-2',4-dioxospiro[3H-chromene-2,5'-azepane]-1'-yl)-N-(4-methylcyclohexyl)propanamide
CID 110213146

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1'-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 7-methoxy-1'-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one (CID 110243498) is 7-methoxy-1'-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 7-methoxy-1'-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 7-methoxy-1'-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one is COc1ccc2c(c1)OC1(CCN(C(=O)c3csc4c3CCC(C)C4)CC1)CC2=O.
What is the InChIKey of 7-methoxy-1'-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is QRFMJXWQHMJVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO4S/c1-15-3-5-17-19(14-30-22(17)11-15)23(27)25-9-7-24(8-10-25)13-20(26)18-6-4-16(28-2)12-21(18)29-24/h4,6,12,14-15H,3,5,7-11,13H2,1-2H3.
What are the key properties of 7-methoxy-1'-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
7-methoxy-1'-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 425.55 g/mol, XLogP of 4.52, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1'-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 110243498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).