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

C22H21Cl2NO4 — CID 108735520

IUPAC6,8-dichloro-1'-[2-(4-methoxyphenyl)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCOc1ccc(CC(=O)N2CCC3(CC2)CC(=O)c2cc(Cl)cc(Cl)c2O3)cc1
InChIInChI=1S/C22H21Cl2NO4/c1-28-16-4-2-14(3-5-16)10-20(27)25-8-6-22(7-9-25)13-19(26)17-11-15(23)12-18(24)21(17)29-22/h2-5,11-12H,6-10,13H2,1H3
InChIKeySXDKGECLOKNPSV-UHFFFAOYSA-N
MW434.32 g/mol
LogP4.57
Rot. Bonds3

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

6,8-dichloro-1'-[2-(4-methoxyphenyl)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 108735520) has the molecular formula C22H21Cl2NO4 and a molecular weight of 434.32 g/mol. Its IUPAC name is 6,8-dichloro-1'-[2-(4-methoxyphenyl)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name6,8-dichloro-1'-[2-(4-methoxyphenyl)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID108735520
Molecular FormulaC22H21Cl2NO4
Molecular Weight434.32 g/mol
Exact Mass433.08
IUPAC Name6,8-dichloro-1'-[2-(4-methoxyphenyl)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCOc1ccc(CC(=O)N2CCC3(CC2)CC(=O)c2cc(Cl)cc(Cl)c2O3)cc1
InChIInChI=1S/C22H21Cl2NO4/c1-28-16-4-2-14(3-5-16)10-20(27)25-8-6-22(7-9-25)13-19(26)17-11-15(23)12-18(24)21(17)29-22/h2-5,11-12H,6-10,13H2,1H3
InChIKeySXDKGECLOKNPSV-UHFFFAOYSA-N
XLogP4.57
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.32
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6,8-dichloro-1'-[2-(4-methoxyphenoxy)propanoyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735553
6-chloro-1'-[2-(4-methoxyphenyl)acetyl]-5,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735394
6,8-dichloro-1'-(5-methylfuran-2-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735582
6,8-dichloro-1'-(4-ethoxybenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758658
1'-[2-(4-bromophenyl)acetyl]-6-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735714
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'-(3-chloro-2,2-dimethylpropanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758629
6,8-dichloro-1'-(furan-2-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758643
8-[2-(4-methoxyphenyl)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 110668791
6,8-dichloro-1'-[2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108810101
6,8-dichloro-1'-[2-(4,6-dimethyl-1,2-benzoxazol-3-yl)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735570

Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-1'-[2-(4-methoxyphenyl)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 6,8-dichloro-1'-[2-(4-methoxyphenyl)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one (CID 108735520) is 6,8-dichloro-1'-[2-(4-methoxyphenyl)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 6,8-dichloro-1'-[2-(4-methoxyphenyl)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 6,8-dichloro-1'-[2-(4-methoxyphenyl)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one is COc1ccc(CC(=O)N2CCC3(CC2)CC(=O)c2cc(Cl)cc(Cl)c2O3)cc1.
What is the InChIKey of 6,8-dichloro-1'-[2-(4-methoxyphenyl)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is SXDKGECLOKNPSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21Cl2NO4/c1-28-16-4-2-14(3-5-16)10-20(27)25-8-6-22(7-9-25)13-19(26)17-11-15(23)12-18(24)21(17)29-22/h2-5,11-12H,6-10,13H2,1H3.
What are the key properties of 6,8-dichloro-1'-[2-(4-methoxyphenyl)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one?
6,8-dichloro-1'-[2-(4-methoxyphenyl)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 434.32 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-1'-[2-(4-methoxyphenyl)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 108735520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).