1'-[2-(4-chlorophenoxy)acetyl]-7,8-dimethoxyspiro[3H-chromene-2,4'-piperidine]-4-one

C23H24ClNO6 — CID 108762711

IUPAC1'-[2-(4-chlorophenoxy)acetyl]-7,8-dimethoxyspiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCOc1ccc2c(c1OC)OC1(CCN(C(=O)COc3ccc(Cl)cc3)CC1)CC2=O
InChIInChI=1S/C23H24ClNO6/c1-28-19-8-7-17-18(26)13-23(31-21(17)22(19)29-2)9-11-25(12-10-23)20(27)14-30-16-5-3-15(24)4-6-16/h3-8H,9-14H2,1-2H3
InChIKeyZVUXXDLZXXDIGH-UHFFFAOYSA-N
MW445.90 g/mol
LogP3.76
Rot. Bonds5

About 1'-[2-(4-chlorophenoxy)acetyl]-7,8-dimethoxyspiro[3H-chromene-2,4'-piperidine]-4-one

1'-[2-(4-chlorophenoxy)acetyl]-7,8-dimethoxyspiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 108762711) has the molecular formula C23H24ClNO6 and a molecular weight of 445.90 g/mol. Its IUPAC name is 1'-[2-(4-chlorophenoxy)acetyl]-7,8-dimethoxyspiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-[2-(4-chlorophenoxy)acetyl]-7,8-dimethoxyspiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID108762711
Molecular FormulaC23H24ClNO6
Molecular Weight445.90 g/mol
Exact Mass445.13
IUPAC Name1'-[2-(4-chlorophenoxy)acetyl]-7,8-dimethoxyspiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCOc1ccc2c(c1OC)OC1(CCN(C(=O)COc3ccc(Cl)cc3)CC1)CC2=O
InChIInChI=1S/C23H24ClNO6/c1-28-19-8-7-17-18(26)13-23(31-21(17)22(19)29-2)9-11-25(12-10-23)20(27)14-30-16-5-3-15(24)4-6-16/h3-8H,9-14H2,1-2H3
InChIKeyZVUXXDLZXXDIGH-UHFFFAOYSA-N
XLogP3.76
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.90
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1'-[2-(2-ethoxyphenoxy)acetyl]-7,8-dimethoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108762684
N-(4-chlorophenyl)-7,8-dimethoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxamide
CID 108782741
7,8-dimethoxy-1'-(2-phenylacetyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108762645
1'-(2,4-dichlorobenzoyl)-7,8-dimethoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108740027
1'-(3,4-dimethoxybenzoyl)-7,8-dimethoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108762616
1'-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-7,8-dimethoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108762658
7,8-dimethoxy-1'-[2-(4-methoxyphenoxy)propanoyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108740057
1'-[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]-7,8-dimethoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108762660
[4-(7,8-dimethoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)phenyl] ethyl carbonate
CID 108762613
1'-[4-(4-chlorophenoxy)butanoyl]-7,8-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758144
7,8-dimethoxy-1'-(3-methoxybenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108762635
1'-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-7,8-dimethoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108762667

Frequently Asked Questions

What is the IUPAC name of 1'-[2-(4-chlorophenoxy)acetyl]-7,8-dimethoxyspiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 1'-[2-(4-chlorophenoxy)acetyl]-7,8-dimethoxyspiro[3H-chromene-2,4'-piperidine]-4-one (CID 108762711) is 1'-[2-(4-chlorophenoxy)acetyl]-7,8-dimethoxyspiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 1'-[2-(4-chlorophenoxy)acetyl]-7,8-dimethoxyspiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 1'-[2-(4-chlorophenoxy)acetyl]-7,8-dimethoxyspiro[3H-chromene-2,4'-piperidine]-4-one is COc1ccc2c(c1OC)OC1(CCN(C(=O)COc3ccc(Cl)cc3)CC1)CC2=O.
What is the InChIKey of 1'-[2-(4-chlorophenoxy)acetyl]-7,8-dimethoxyspiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is ZVUXXDLZXXDIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClNO6/c1-28-19-8-7-17-18(26)13-23(31-21(17)22(19)29-2)9-11-25(12-10-23)20(27)14-30-16-5-3-15(24)4-6-16/h3-8H,9-14H2,1-2H3.
What are the key properties of 1'-[2-(4-chlorophenoxy)acetyl]-7,8-dimethoxyspiro[3H-chromene-2,4'-piperidine]-4-one?
1'-[2-(4-chlorophenoxy)acetyl]-7,8-dimethoxyspiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 445.90 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[2-(4-chlorophenoxy)acetyl]-7,8-dimethoxyspiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 108762711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).