6,8-dichloro-1'-[2-(4-methoxyphenoxy)propanoyl]spiro[3H-chromene-2,4'-piperidine]-4-one

C23H23Cl2NO5 — CID 108735553

IUPAC6,8-dichloro-1'-[2-(4-methoxyphenoxy)propanoyl]spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCOc1ccc(OC(C)C(=O)N2CCC3(CC2)CC(=O)c2cc(Cl)cc(Cl)c2O3)cc1
InChIInChI=1S/C23H23Cl2NO5/c1-14(30-17-5-3-16(29-2)4-6-17)22(28)26-9-7-23(8-10-26)13-20(27)18-11-15(24)12-19(25)21(18)31-23/h3-6,11-12,14H,7-10,13H2,1-2H3
InChIKeyXNWKXEJRJYRESR-UHFFFAOYSA-N
MW464.35 g/mol
LogP4.80
Rot. Bonds4

About 6,8-dichloro-1'-[2-(4-methoxyphenoxy)propanoyl]spiro[3H-chromene-2,4'-piperidine]-4-one

6,8-dichloro-1'-[2-(4-methoxyphenoxy)propanoyl]spiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 108735553) has the molecular formula C23H23Cl2NO5 and a molecular weight of 464.35 g/mol. Its IUPAC name is 6,8-dichloro-1'-[2-(4-methoxyphenoxy)propanoyl]spiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name6,8-dichloro-1'-[2-(4-methoxyphenoxy)propanoyl]spiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID108735553
Molecular FormulaC23H23Cl2NO5
Molecular Weight464.35 g/mol
Exact Mass463.10
IUPAC Name6,8-dichloro-1'-[2-(4-methoxyphenoxy)propanoyl]spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCOc1ccc(OC(C)C(=O)N2CCC3(CC2)CC(=O)c2cc(Cl)cc(Cl)c2O3)cc1
InChIInChI=1S/C23H23Cl2NO5/c1-14(30-17-5-3-16(29-2)4-6-17)22(28)26-9-7-23(8-10-26)13-20(27)18-11-15(24)12-19(25)21(18)31-23/h3-6,11-12,14H,7-10,13H2,1-2H3
InChIKeyXNWKXEJRJYRESR-UHFFFAOYSA-N
XLogP4.80
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.35
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6,8-dichloro-1'-[2-(4-methoxyphenyl)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735520
7,8-dimethoxy-1'-[2-(4-methoxyphenoxy)propanoyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108740057
2-[1-(6,8-dichloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-1-oxopropan-2-yl]isoindole-1,3-dione
CID 108758656
6,8-dichloro-1'-(4-ethoxybenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758658
6,8-dichloro-1'-(5-methylfuran-2-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735582
6,8-dichloro-1'-(3-chloro-2,2-dimethylpropanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758629
1'-[2-(4-bromophenoxy)propanoyl]-6,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735051
prop-2-enyl 6,8-dichloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate
CID 108735528
[3-(6,8-dichloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)phenyl] acetate
CID 108758625
6,8-dichloro-1'-(furan-2-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758643
6-chloro-1'-(3-methoxybenzoyl)-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108750281
5,7-dimethyl-1'-[2-(4-propan-2-ylphenoxy)propanoyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108762584

Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-1'-[2-(4-methoxyphenoxy)propanoyl]spiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 6,8-dichloro-1'-[2-(4-methoxyphenoxy)propanoyl]spiro[3H-chromene-2,4'-piperidine]-4-one (CID 108735553) is 6,8-dichloro-1'-[2-(4-methoxyphenoxy)propanoyl]spiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 6,8-dichloro-1'-[2-(4-methoxyphenoxy)propanoyl]spiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 6,8-dichloro-1'-[2-(4-methoxyphenoxy)propanoyl]spiro[3H-chromene-2,4'-piperidine]-4-one is COc1ccc(OC(C)C(=O)N2CCC3(CC2)CC(=O)c2cc(Cl)cc(Cl)c2O3)cc1.
What is the InChIKey of 6,8-dichloro-1'-[2-(4-methoxyphenoxy)propanoyl]spiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is XNWKXEJRJYRESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23Cl2NO5/c1-14(30-17-5-3-16(29-2)4-6-17)22(28)26-9-7-23(8-10-26)13-20(27)18-11-15(24)12-19(25)21(18)31-23/h3-6,11-12,14H,7-10,13H2,1-2H3.
What are the key properties of 6,8-dichloro-1'-[2-(4-methoxyphenoxy)propanoyl]spiro[3H-chromene-2,4'-piperidine]-4-one?
6,8-dichloro-1'-[2-(4-methoxyphenoxy)propanoyl]spiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 464.35 g/mol, XLogP of 4.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-1'-[2-(4-methoxyphenoxy)propanoyl]spiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 108735553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).