1'-[2-(4-chlorophenoxy)-2-methylpropanoyl]-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one

C24H26ClNO5 — CID 108758844

IUPAC1'-[2-(4-chlorophenoxy)-2-methylpropanoyl]-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCOc1ccc2c(c1)OC1(CCN(C(=O)C(C)(C)Oc3ccc(Cl)cc3)CC1)CC2=O
InChIInChI=1S/C24H26ClNO5/c1-23(2,30-17-6-4-16(25)5-7-17)22(28)26-12-10-24(11-13-26)15-20(27)19-9-8-18(29-3)14-21(19)31-24/h4-9,14H,10-13,15H2,1-3H3
InChIKeyGMKFRQXDAFOQDT-UHFFFAOYSA-N
MW443.93 g/mol
LogP4.53
Rot. Bonds4

About 1'-[2-(4-chlorophenoxy)-2-methylpropanoyl]-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one

1'-[2-(4-chlorophenoxy)-2-methylpropanoyl]-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 108758844) has the molecular formula C24H26ClNO5 and a molecular weight of 443.93 g/mol. Its IUPAC name is 1'-[2-(4-chlorophenoxy)-2-methylpropanoyl]-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-[2-(4-chlorophenoxy)-2-methylpropanoyl]-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID108758844
Molecular FormulaC24H26ClNO5
Molecular Weight443.93 g/mol
Exact Mass443.15
IUPAC Name1'-[2-(4-chlorophenoxy)-2-methylpropanoyl]-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCOc1ccc2c(c1)OC1(CCN(C(=O)C(C)(C)Oc3ccc(Cl)cc3)CC1)CC2=O
InChIInChI=1S/C24H26ClNO5/c1-23(2,30-17-6-4-16(25)5-7-17)22(28)26-12-10-24(11-13-26)15-20(27)19-9-8-18(29-3)14-21(19)31-24/h4-9,14H,10-13,15H2,1-3H3
InChIKeyGMKFRQXDAFOQDT-UHFFFAOYSA-N
XLogP4.53
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.93
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1'-[2-(4-chlorophenoxy)-2-methylpropanoyl]-6,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758159
1'-(2-chloroacetyl)-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735805
1'-[1-(4-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108809874
tert-butyl (2R)-7-methoxy-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-carboxylate
CID 125451881
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'-[4-(dimethylamino)benzoyl]-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735789
1'-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-6-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758778
7-methoxyspiro[3H-chromene-2,1'-cyclooctane]-4-one
CID 114672429
1'-(2-cyclohexylacetyl)-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758841
1-(7-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-4-(4-methoxyphenyl)butane-1,4-dione
CID 108735847
6-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylic acid
CID 67468525

Frequently Asked Questions

What is the IUPAC name of 1'-[2-(4-chlorophenoxy)-2-methylpropanoyl]-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 1'-[2-(4-chlorophenoxy)-2-methylpropanoyl]-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one (CID 108758844) is 1'-[2-(4-chlorophenoxy)-2-methylpropanoyl]-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 1'-[2-(4-chlorophenoxy)-2-methylpropanoyl]-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 1'-[2-(4-chlorophenoxy)-2-methylpropanoyl]-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one is COc1ccc2c(c1)OC1(CCN(C(=O)C(C)(C)Oc3ccc(Cl)cc3)CC1)CC2=O.
What is the InChIKey of 1'-[2-(4-chlorophenoxy)-2-methylpropanoyl]-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is GMKFRQXDAFOQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClNO5/c1-23(2,30-17-6-4-16(25)5-7-17)22(28)26-12-10-24(11-13-26)15-20(27)19-9-8-18(29-3)14-21(19)31-24/h4-9,14H,10-13,15H2,1-3H3.
What are the key properties of 1'-[2-(4-chlorophenoxy)-2-methylpropanoyl]-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one?
1'-[2-(4-chlorophenoxy)-2-methylpropanoyl]-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 443.93 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[2-(4-chlorophenoxy)-2-methylpropanoyl]-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 108758844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).